2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine

C18H31N3 — CID 65406195

IUPAC2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCC(CC)C2)nc(C)c1C(C)C
InChIInChI=1S/C18H31N3/c1-6-10-19-18-16(12(3)4)13(5)20-17(21-18)15-9-8-14(7-2)11-15/h12,14-15H,6-11H2,1-5H3,(H,19,20,21)
InChIKeySXNHYUWTWGIVOA-UHFFFAOYSA-N
MW289.47 g/mol
LogP5.02
Rot. Bonds6

About 2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine

2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 65406195) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID65406195
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCC(CC)C2)nc(C)c1C(C)C
InChIInChI=1S/C18H31N3/c1-6-10-19-18-16(12(3)4)13(5)20-17(21-18)15-9-8-14(7-2)11-15/h12,14-15H,6-11H2,1-5H3,(H,19,20,21)
InChIKeySXNHYUWTWGIVOA-UHFFFAOYSA-N
XLogP5.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63484737
5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66307681
[6-methyl-5-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 65401375
2-(3-ethylcyclopentyl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 65405403
N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66305718
6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 65413827
[6-methyl-2-(3-methylcyclopentyl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 65413624
N-ethyl-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidin-4-amine
CID 62915665
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299922
6-methyl-5-propan-2-yl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 62913276
2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65391131

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 65406195) is 2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(C2CCC(CC)C2)nc(C)c1C(C)C.
What is the InChIKey of 2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is SXNHYUWTWGIVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-10-19-18-16(12(3)4)13(5)20-17(21-18)15-9-8-14(7-2)11-15/h12,14-15H,6-11H2,1-5H3,(H,19,20,21).
What are the key properties of 2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 65406195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).