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

C15H21N5 — CID 80821940

IUPAC6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCc1cccc(C)n1
InChIInChI=1S/C15H21N5/c1-4-6-13-14(16-3)18-10-19-15(13)17-9-12-8-5-7-11(2)20-12/h5,7-8,10H,4,6,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyXCPUBPWSOYXSGK-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.79
Rot. Bonds6

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

6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine (PubChem CID 80821940) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
PubChem CID80821940
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCc1cccc(C)n1
InChIInChI=1S/C15H21N5/c1-4-6-13-14(16-3)18-10-19-15(13)17-9-12-8-5-7-11(2)20-12/h5,7-8,10H,4,6,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyXCPUBPWSOYXSGK-UHFFFAOYSA-N
XLogP2.79
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80814068
5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80822689
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-N-methyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766055
6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80818107
6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 80828380
6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80813355
4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80821682
6-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 55057435
6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80807627
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80807042
4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 114102516

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine (CID 80821940) is 6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCc1cccc(C)n1.
What is the InChIKey of 6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine?
The InChIKey is XCPUBPWSOYXSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-6-13-14(16-3)18-10-19-15(13)17-9-12-8-5-7-11(2)20-12/h5,7-8,10H,4,6,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine?
6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80821940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).