N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine

C18H23N3O2 — CID 139004064

IUPACN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
SMILESCOc1ccc(CNc2nccnc2C)c(OC2CCCC2)c1
InChIInChI=1S/C18H23N3O2/c1-13-18(20-10-9-19-13)21-12-14-7-8-16(22-2)11-17(14)23-15-5-3-4-6-15/h7-11,15H,3-6,12H2,1-2H3,(H,20,21)
InChIKeyRHPYEHSLQIGLSX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.73
Rot. Bonds6

About N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine (PubChem CID 139004064) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
PubChem CID139004064
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
SMILESCOc1ccc(CNc2nccnc2C)c(OC2CCCC2)c1
InChIInChI=1S/C18H23N3O2/c1-13-18(20-10-9-19-13)21-12-14-7-8-16(22-2)11-17(14)23-15-5-3-4-6-15/h7-11,15H,3-6,12H2,1-2H3,(H,20,21)
InChIKeyRHPYEHSLQIGLSX-UHFFFAOYSA-N
XLogP3.73
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133492466
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453
2-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 139010596
3-bromo-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133356772
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
CID 146107018
3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 168934278
1-cyclopentyl-3-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylguanidine
CID 111963781
N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
CID 83228718
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119142062

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine?
The IUPAC name of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine (CID 139004064) is N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine?
The canonical SMILES for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine is COc1ccc(CNc2nccnc2C)c(OC2CCCC2)c1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine?
The InChIKey is RHPYEHSLQIGLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-18(20-10-9-19-13)21-12-14-7-8-16(22-2)11-17(14)23-15-5-3-4-6-15/h7-11,15H,3-6,12H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine?
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine has a molecular weight of 313.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine is sourced from PubChem (CID 139004064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).