N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine

C20H27N3O — CID 167923389

IUPACN-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine
SMILESCC(C)CCC1CCCC1Nc1nccc(Oc2ccccc2)n1
InChIInChI=1S/C20H27N3O/c1-15(2)11-12-16-7-6-10-18(16)22-20-21-14-13-19(23-20)24-17-8-4-3-5-9-17/h3-5,8-9,13-16,18H,6-7,10-12H2,1-2H3,(H,21,22,23)
InChIKeyHQPHWQBYVPCWQD-UHFFFAOYSA-N
MW325.46 g/mol
LogP5.29
Rot. Bonds7

About N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine

N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine (PubChem CID 167923389) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine
PubChem CID167923389
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine
SMILESCC(C)CCC1CCCC1Nc1nccc(Oc2ccccc2)n1
InChIInChI=1S/C20H27N3O/c1-15(2)11-12-16-7-6-10-18(16)22-20-21-14-13-19(23-20)24-17-8-4-3-5-9-17/h3-5,8-9,13-16,18H,6-7,10-12H2,1-2H3,(H,21,22,23)
InChIKeyHQPHWQBYVPCWQD-UHFFFAOYSA-N
XLogP5.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile
CID 167855530
2-[2-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]ethanol
CID 133496350
N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine
CID 167822808
tert-butyl 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylate
CID 167858499
N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106365613
N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine
CID 112684653
N-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dithiin-5-yl)-4-phenoxypyrimidin-2-amine
CID 167881536
1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine
CID 63252268
trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 146105827
N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine
CID 167914287
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine
CID 167810157
N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553610

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine?
The IUPAC name of N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine (CID 167923389) is N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine?
The canonical SMILES for N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine is CC(C)CCC1CCCC1Nc1nccc(Oc2ccccc2)n1.
What is the InChIKey of N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine?
The InChIKey is HQPHWQBYVPCWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15(2)11-12-16-7-6-10-18(16)22-20-21-14-13-19(23-20)24-17-8-4-3-5-9-17/h3-5,8-9,13-16,18H,6-7,10-12H2,1-2H3,(H,21,22,23).
What are the key properties of N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine?
N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine has a molecular weight of 325.46 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutyl)cyclopentyl]-4-phenoxypyrimidin-2-amine is sourced from PubChem (CID 167923389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).