6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine

C18H23N3O2 — CID 90833965

IUPAC6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2c(N)nc(C)nc2C2CCCC2)cc1OC
InChIInChI=1S/C18H23N3O2/c1-11-20-17(12-6-4-5-7-12)16(18(19)21-11)13-8-9-14(22-2)15(10-13)23-3/h8-10,12H,4-7H2,1-3H3,(H2,19,20,21)
InChIKeyHXVNEZZEDBLAJP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.71
Rot. Bonds4

About 6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine

6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine (PubChem CID 90833965) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine
PubChem CID90833965
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2c(N)nc(C)nc2C2CCCC2)cc1OC
InChIInChI=1S/C18H23N3O2/c1-11-20-17(12-6-4-5-7-12)16(18(19)21-11)13-8-9-14(22-2)15(10-13)23-3/h8-10,12H,4-7H2,1-3H3,(H2,19,20,21)
InChIKeyHXVNEZZEDBLAJP-UHFFFAOYSA-N
XLogP3.71
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66295326
6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 91294249
5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 957265
4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide
CID 82437362
4-cyclopentyl-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole
CID 174972085
(8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 7114169
4-cyclopentyl-6-(4-fluoro-3-methoxyphenyl)-1,3,5-triazin-2-amine
CID 107923218
2-cyclopropyl-4-(3,4-dimethoxyphenyl)imidazole-1,5-diamine
CID 62483620
5-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidin-4-amine
CID 82301068
2-[4-(5-amino-4-cyano-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)-2-methoxyphenoxy]acetamide
CID 56758946
5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine
CID 82475498
5-(3-bromo-4-methoxyphenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 62218652

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine (CID 90833965) is 6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine is COc1ccc(-c2c(N)nc(C)nc2C2CCCC2)cc1OC.
What is the InChIKey of 6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is HXVNEZZEDBLAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11-20-17(12-6-4-5-7-12)16(18(19)21-11)13-8-9-14(22-2)15(10-13)23-3/h8-10,12H,4-7H2,1-3H3,(H2,19,20,21).
What are the key properties of 6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine?
6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 313.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 90833965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).