N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine

C17H29N3O — CID 82454224

IUPACN-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCCc1nc(NC2CCCCCC2)cc(OCC(C)C)n1
InChIInChI=1S/C17H29N3O/c1-4-15-19-16(11-17(20-15)21-12-13(2)3)18-14-9-7-5-6-8-10-14/h11,13-14H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyHEJCVSYOFNTTMO-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.21
Rot. Bonds6

About N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine

N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine (PubChem CID 82454224) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
PubChem CID82454224
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCCc1nc(NC2CCCCCC2)cc(OCC(C)C)n1
InChIInChI=1S/C17H29N3O/c1-4-15-19-16(11-17(20-15)21-12-13(2)3)18-14-9-7-5-6-8-10-14/h11,13-14H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyHEJCVSYOFNTTMO-UHFFFAOYSA-N
XLogP4.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 82454277
6-butoxy-N-cycloheptyl-2-ethylpyrimidin-4-amine
CID 82454357
N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456497
N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 82454241
N-butan-2-yl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454213
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
4-N-cyclobutyl-2-ethylpyrimidine-4,6-diamine
CID 80934753
N-cyclohexyl-2-methyl-6-propoxypyrimidin-4-amine
CID 82454018
6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine
CID 82454374
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The IUPAC name of N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine (CID 82454224) is N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The canonical SMILES for N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine is CCc1nc(NC2CCCCCC2)cc(OCC(C)C)n1.
What is the InChIKey of N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine?
The InChIKey is HEJCVSYOFNTTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-15-19-16(11-17(20-15)21-12-13(2)3)18-14-9-7-5-6-8-10-14/h11,13-14H,4-10,12H2,1-3H3,(H,18,19,20).
What are the key properties of N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine?
N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 82454224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).