N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine

C17H29N3O — CID 82454277

IUPACN-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC2CCCCC2)cc(OCC(C)C)n1
InChIInChI=1S/C17H29N3O/c1-4-8-15-19-16(18-14-9-6-5-7-10-14)11-17(20-15)21-12-13(2)3/h11,13-14H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyAXZDXDGPSAGOPA-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.21
Rot. Bonds7

About N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine

N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine (PubChem CID 82454277) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
PubChem CID82454277
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC2CCCCC2)cc(OCC(C)C)n1
InChIInChI=1S/C17H29N3O/c1-4-8-15-19-16(18-14-9-6-5-7-10-14)11-17(20-15)21-12-13(2)3/h11,13-14H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyAXZDXDGPSAGOPA-UHFFFAOYSA-N
XLogP4.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454224
N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456497
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 82454241
6-butoxy-N-cycloheptyl-2-ethylpyrimidin-4-amine
CID 82454357
6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 82453955
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
6-(2-ethylbutoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 114208764
N-cyclohexyl-2-methyl-6-propoxypyrimidin-4-amine
CID 82454018
6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine
CID 82454374
2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine
CID 82458395
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine (CID 82454277) is N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine is CCCc1nc(NC2CCCCC2)cc(OCC(C)C)n1.
What is the InChIKey of N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine?
The InChIKey is AXZDXDGPSAGOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-8-15-19-16(18-14-9-6-5-7-10-14)11-17(20-15)21-12-13(2)3/h11,13-14H,4-10,12H2,1-3H3,(H,18,19,20).
What are the key properties of N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine?
N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 82454277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).