4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine

C12H22N4 — CID 103466603

IUPAC4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCC(C)(C)CNc1cc(C)nc(NC)n1
InChIInChI=1S/C12H22N4/c1-6-12(3,4)8-14-10-7-9(2)15-11(13-5)16-10/h7H,6,8H2,1-5H3,(H2,13,14,15,16)
InChIKeyINCNXHLLJUXPJR-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.67
Rot. Bonds5

About 4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 103466603) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID103466603
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCC(C)(C)CNc1cc(C)nc(NC)n1
InChIInChI=1S/C12H22N4/c1-6-12(3,4)8-14-10-7-9(2)15-11(13-5)16-10/h7H,6,8H2,1-5H3,(H2,13,14,15,16)
InChIKeyINCNXHLLJUXPJR-UHFFFAOYSA-N
XLogP2.67
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179435
2,2-dimethyl-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 106280469
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147401
2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 80839141
2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
CID 103461768
2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 114102557
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855289
4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80852205
2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770422
2-methyl-1-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565294
1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842622

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine (CID 103466603) is 4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine is CCC(C)(C)CNc1cc(C)nc(NC)n1.
What is the InChIKey of 4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is INCNXHLLJUXPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-12(3,4)8-14-10-7-9(2)15-11(13-5)16-10/h7H,6,8H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 103466603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).