4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine

C19H25N3O2 — CID 19138860

IUPAC4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
SMILESCC(C)c1ccc(Oc2ncnc(OC3CCCCC3)c2N)cc1
InChIInChI=1S/C19H25N3O2/c1-13(2)14-8-10-16(11-9-14)24-19-17(20)18(21-12-22-19)23-15-6-4-3-5-7-15/h8-13,15H,3-7,20H2,1-2H3
InChIKeyCOQQVUSENGNGAV-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.69
Rot. Bonds5

About 4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine

4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine (PubChem CID 19138860) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
PubChem CID19138860
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
SMILESCC(C)c1ccc(Oc2ncnc(OC3CCCCC3)c2N)cc1
InChIInChI=1S/C19H25N3O2/c1-13(2)14-8-10-16(11-9-14)24-19-17(20)18(21-12-22-19)23-15-6-4-3-5-7-15/h8-13,15H,3-7,20H2,1-2H3
InChIKeyCOQQVUSENGNGAV-UHFFFAOYSA-N
XLogP4.69
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine
CID 55230235
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138340
4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138730
4-N-(3,5-dimethylphenyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine
CID 22540925
4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138753
4-N-(2-chloro-3-pyridinyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine
CID 19138859
1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64764393
4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137416
4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine
CID 19136683
methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate
CID 22544845

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine (CID 19138860) is 4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine is CC(C)c1ccc(Oc2ncnc(OC3CCCCC3)c2N)cc1.
What is the InChIKey of 4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
The InChIKey is COQQVUSENGNGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)14-8-10-16(11-9-14)24-19-17(20)18(21-12-22-19)23-15-6-4-3-5-7-15/h8-13,15H,3-7,20H2,1-2H3.
What are the key properties of 4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine has a molecular weight of 327.43 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 19138860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).