2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine

C13H22N4 — CID 113283635

IUPAC2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine
SMILESCCc1cc(NC(C)(CN)C2CC2)nc(C)n1
InChIInChI=1S/C13H22N4/c1-4-11-7-12(16-9(2)15-11)17-13(3,8-14)10-5-6-10/h7,10H,4-6,8,14H2,1-3H3,(H,15,16,17)
InChIKeyXKNAKGVFPUIOQR-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.89
Rot. Bonds5

About 2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine

2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine (PubChem CID 113283635) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine
PubChem CID113283635
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine
SMILESCCc1cc(NC(C)(CN)C2CC2)nc(C)n1
InChIInChI=1S/C13H22N4/c1-4-11-7-12(16-9(2)15-11)17-13(3,8-14)10-5-6-10/h7,10H,4-6,8,14H2,1-3H3,(H,15,16,17)
InChIKeyXKNAKGVFPUIOQR-UHFFFAOYSA-N
XLogP1.89
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(6-ethyl-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
CID 113284109
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine
CID 114208177
6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 135201749
2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine
CID 115308091
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol
CID 71848670
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
2-cyclopropyl-2-N-(5-methyl-2-pyridinyl)propane-1,2-diamine
CID 115308081
4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110713
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 115457082
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357883
4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130133
6-ethyl-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419264

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine (CID 113283635) is 2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine is CCc1cc(NC(C)(CN)C2CC2)nc(C)n1.
What is the InChIKey of 2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is XKNAKGVFPUIOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-11-7-12(16-9(2)15-11)17-13(3,8-14)10-5-6-10/h7,10H,4-6,8,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine?
2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 113283635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).