2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine

C18H23N3O2 — CID 171324254

IUPAC2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2cc(C)nc(C3CC3)n2)cc1OC
InChIInChI=1S/C18H23N3O2/c1-12-9-17(20-18(19-12)14-6-7-14)21(2)11-13-5-8-15(22-3)16(10-13)23-4/h5,8-10,14H,6-7,11H2,1-4H3
InChIKeyVYPDNZUNVKYKAQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.32
Rot. Bonds6

About 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine

2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 171324254) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID171324254
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2cc(C)nc(C3CC3)n2)cc1OC
InChIInChI=1S/C18H23N3O2/c1-12-9-17(20-18(19-12)14-6-7-14)21(2)11-13-5-8-15(22-3)16(10-13)23-4/h5,8-10,14H,6-7,11H2,1-4H3
InChIKeyVYPDNZUNVKYKAQ-UHFFFAOYSA-N
XLogP3.32
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-N,6-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 171691345
N-[(3,4-dimethoxyphenyl)methyl]-N,4,6,8-tetramethylquinolin-2-amine
CID 8934386
6-chloro-2-cyclopropyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyrimidin-4-amine
CID 133416487
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 171324276
2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 133304164
2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 171324251
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 171324265
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 78836350
4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine
CID 80960822
2-methoxy-5-[[methyl-(6-methyl-2-pyridinyl)amino]methyl]phenol
CID 91651296
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine (CID 171324254) is 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine is COc1ccc(CN(C)c2cc(C)nc(C3CC3)n2)cc1OC.
What is the InChIKey of 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is VYPDNZUNVKYKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-9-17(20-18(19-12)14-6-7-14)21(2)11-13-5-8-15(22-3)16(10-13)23-4/h5,8-10,14H,6-7,11H2,1-4H3.
What are the key properties of 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 313.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 171324254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).