4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine

C15H28N4O — CID 104830551

IUPAC4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)C(C)(C)C)nc(COC)n1
InChIInChI=1S/C15H28N4O/c1-7-8-16-12-9-13(17-11(2)15(3,4)5)19-14(18-12)10-20-6/h9,11H,7-8,10H2,1-6H3,(H2,16,17,18,19)
InChIKeyIHKHKEJARKPHBW-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.29
Rot. Bonds7

About 4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine

4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 104830551) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID104830551
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)C(C)(C)C)nc(COC)n1
InChIInChI=1S/C15H28N4O/c1-7-8-16-12-9-13(17-11(2)15(3,4)5)19-14(18-12)10-20-6/h9,11H,7-8,10H2,1-6H3,(H2,16,17,18,19)
InChIKeyIHKHKEJARKPHBW-UHFFFAOYSA-N
XLogP3.29
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163010
2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 113401286
2-(methoxymethyl)-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433968
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179082
3-[2-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311652
6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113401713
2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347563
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137939
4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80753696

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine (CID 104830551) is 4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)C(C)(C)C)nc(COC)n1.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is IHKHKEJARKPHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-7-8-16-12-9-13(17-11(2)15(3,4)5)19-14(18-12)10-20-6/h9,11H,7-8,10H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 280.42 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 104830551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).