2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine

C13H22N4 — CID 114102557

IUPAC2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCCCC1(CNc2cc(C)nc(NC)n2)CC1
InChIInChI=1S/C13H22N4/c1-4-5-13(6-7-13)9-15-11-8-10(2)16-12(14-3)17-11/h8H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyHOQQMRQCFMXSTK-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.82
Rot. Bonds6

About 2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine (PubChem CID 114102557) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
PubChem CID114102557
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCCCC1(CNc2cc(C)nc(NC)n2)CC1
InChIInChI=1S/C13H22N4/c1-4-5-13(6-7-13)9-15-11-8-10(2)16-12(14-3)17-11/h8H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyHOQQMRQCFMXSTK-UHFFFAOYSA-N
XLogP2.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842622
6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761666
4-methyl-1-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842253
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 103466603
4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 83118042
2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 80839141
2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770422
4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827870
2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147401
2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179435
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855289

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine (CID 114102557) is 2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine is CCCC1(CNc2cc(C)nc(NC)n2)CC1.
What is the InChIKey of 2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is HOQQMRQCFMXSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-5-13(6-7-13)9-15-11-8-10(2)16-12(14-3)17-11/h8H,4-7,9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 114102557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).