6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine

C14H20N6 — CID 80814068

IUPAC6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCc1ccnc(C)n1
InChIInChI=1S/C14H20N6/c1-4-5-12-13(15-3)18-9-19-14(12)17-8-11-6-7-16-10(2)20-11/h6-7,9H,4-5,8H2,1-3H3,(H2,15,17,18,19)
InChIKeyUHJRZRCZJWVARL-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.18
Rot. Bonds6

About 6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine

6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine (PubChem CID 80814068) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
PubChem CID80814068
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCc1ccnc(C)n1
InChIInChI=1S/C14H20N6/c1-4-5-12-13(15-3)18-9-19-14(12)17-8-11-6-7-16-10(2)20-11/h6-7,9H,4-5,8H2,1-3H3,(H2,15,17,18,19)
InChIKeyUHJRZRCZJWVARL-UHFFFAOYSA-N
XLogP2.18
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80821940
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80813252
6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80813355
6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80818107
6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80807627
4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809447
6-N-methyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766055
6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine
CID 61224152
6-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2,3-diamine
CID 81133270
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80807042
1-methyl-5-N-[(2-methylpyrimidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
CID 66017523

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine (CID 80814068) is 6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCc1ccnc(C)n1.
What is the InChIKey of 6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine?
The InChIKey is UHJRZRCZJWVARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-4-5-12-13(15-3)18-9-19-14(12)17-8-11-6-7-16-10(2)20-11/h6-7,9H,4-5,8H2,1-3H3,(H2,15,17,18,19).
What are the key properties of 6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine?
6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine has a molecular weight of 272.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80814068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).