4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine

C15H29N5 — CID 80806994

IUPAC4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC(CC(C)C)CN(C)C)n1
InChIInChI=1S/C15H29N5/c1-7-16-15-17-9-12(4)14(19-15)18-13(8-11(2)3)10-20(5)6/h9,11,13H,7-8,10H2,1-6H3,(H2,16,17,18,19)
InChIKeyFYGLXDSZGHBITP-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.61
Rot. Bonds8

About 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine

4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine (PubChem CID 80806994) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
PubChem CID80806994
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC(CC(C)C)CN(C)C)n1
InChIInChI=1S/C15H29N5/c1-7-16-15-17-9-12(4)14(19-15)18-13(8-11(2)3)10-20(5)6/h9,11,13H,7-8,10H2,1-6H3,(H2,16,17,18,19)
InChIKeyFYGLXDSZGHBITP-UHFFFAOYSA-N
XLogP2.61
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80808240
2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80802888
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80782621
2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
CID 106042113
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-N-ethylpyridine-3,5-diamine
CID 104533595
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152265
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80800370
2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80898011
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
5-bromo-2-N-ethyl-4-N-(4-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80782949
4-methyl-1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159661
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80802333

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine (CID 80806994) is 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine is CCNc1ncc(C)c(NC(CC(C)C)CN(C)C)n1.
What is the InChIKey of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The InChIKey is FYGLXDSZGHBITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-7-16-15-17-9-12(4)14(19-15)18-13(8-11(2)3)10-20(5)6/h9,11,13H,7-8,10H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80806994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).