5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine

C38H44N14 — CID 158539777

IUPAC5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine
SMILESCCc1cncnc1.CN(Cc1cncnc1)c1ccccn1.CNc1ccccn1.Nc1ccccn1.c1ccc(NCc2cncnc2)nc1
InChIInChI=1S/C11H12N4.C10H10N4.2C6H8N2.C5H6N2/c1-15(11-4-2-3-5-14-11)8-10-6-12-9-13-7-10;1-2-4-13-10(3-1)14-7-9-5-11-8-12-6-9;1-7-6-4-2-3-5-8-6;1-2-6-3-7-5-8-4-6;6-5-3-1-2-4-7-5/h2-7,9H,8H2,1H3;1-6,8H,7H2,(H,13,14);2-5H,1H3,(H,7,8);3-5H,2H2,1H3;1-4H,(H2,6,7)
InChIKeyHOJMGSFKQOYAJH-UHFFFAOYSA-N
MW696.87 g/mol
LogP5.82
Rot. Bonds8

About 5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine

5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine (PubChem CID 158539777) has the molecular formula C38H44N14 and a molecular weight of 696.87 g/mol. Its IUPAC name is 5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine
PubChem CID158539777
Molecular FormulaC38H44N14
Molecular Weight696.87 g/mol
Exact Mass696.39
IUPAC Name5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine
SMILESCCc1cncnc1.CN(Cc1cncnc1)c1ccccn1.CNc1ccccn1.Nc1ccccn1.c1ccc(NCc2cncnc2)nc1
InChIInChI=1S/C11H12N4.C10H10N4.2C6H8N2.C5H6N2/c1-15(11-4-2-3-5-14-11)8-10-6-12-9-13-7-10;1-2-4-13-10(3-1)14-7-9-5-11-8-12-6-9;1-7-6-4-2-3-5-8-6;1-2-6-3-7-5-8-4-6;6-5-3-1-2-4-7-5/h2-7,9H,8H2,1H3;1-6,8H,7H2,(H,13,14);2-5H,1H3,(H,7,8);3-5H,2H2,1H3;1-4H,(H2,6,7)
InChIKeyHOJMGSFKQOYAJH-UHFFFAOYSA-N
XLogP5.82
TPSA182.22 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500696.87
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-N-phenyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145975282
2,4,6-Tris(4-pyridyl)-1,3,5-triazine
CID 317666
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
N-(8-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}octyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644780
N-benzyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3233704
US9205085, Msx-198
CID 49857289
6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
CID 56949221
2-N-butyl-4-N-piperidin-4-yl-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792974
6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-N-phenyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145978122
N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 3233467

Frequently Asked Questions

What is the IUPAC name of 5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine (CID 158539777) is 5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine is CCc1cncnc1.CN(Cc1cncnc1)c1ccccn1.CNc1ccccn1.Nc1ccccn1.c1ccc(NCc2cncnc2)nc1.
What is the InChIKey of 5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine?
The InChIKey is HOJMGSFKQOYAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4.C10H10N4.2C6H8N2.C5H6N2/c1-15(11-4-2-3-5-14-11)8-10-6-12-9-13-7-10;1-2-4-13-10(3-1)14-7-9-5-11-8-12-6-9;1-7-6-4-2-3-5-8-6;1-2-6-3-7-5-8-4-6;6-5-3-1-2-4-7-5/h2-7,9H,8H2,1H3;1-6,8H,7H2,(H,13,14);2-5H,1H3,(H,7,8);3-5H,2H2,1H3;1-4H,(H2,6,7).
What are the key properties of 5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine?
5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine has a molecular weight of 696.87 g/mol, XLogP of 5.82, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylpyrimidine;N-methylpyridin-2-amine;N-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine;pyridin-2-amine;N-(pyrimidin-5-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 158539777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).