2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine

C16H27N3 — CID 65399993

IUPAC2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C2CCCCCC2)nc(C)c1C(C)C
InChIInChI=1S/C16H27N3/c1-11(2)14-12(3)18-15(19-16(14)17-4)13-9-7-5-6-8-10-13/h11,13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyISALHMZCBOUSDT-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.39
Rot. Bonds3

About 2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine

2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 65399993) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID65399993
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C2CCCCCC2)nc(C)c1C(C)C
InChIInChI=1S/C16H27N3/c1-11(2)14-12(3)18-15(19-16(14)17-4)13-9-7-5-6-8-10-13/h11,13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyISALHMZCBOUSDT-UHFFFAOYSA-N
XLogP4.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.39
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-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300892
N-ethyl-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidin-4-amine
CID 62915665
2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 65140533
[6-methyl-5-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 65401375
[6-methyl-2-(3-methylcyclopentyl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 65413624
2-cyclooctyl-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 80611910
4-N-cyclohexyl-2-cyclopropyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980958
[2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114216456
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 65399366
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
CID 65293724

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine (CID 65399993) is 2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine is CNc1nc(C2CCCCCC2)nc(C)c1C(C)C.
What is the InChIKey of 2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is ISALHMZCBOUSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11(2)14-12(3)18-15(19-16(14)17-4)13-9-7-5-6-8-10-13/h11,13H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 65399993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).