N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine

C17H20N6O2 — CID 159861380

IUPACN-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine
SMILESCOc1ccc(CNc2ccncn2)c(OC)c1.Nc1ccncn1
InChIInChI=1S/C13H15N3O2.C4H5N3/c1-17-11-4-3-10(12(7-11)18-2)8-15-13-5-6-14-9-16-13;5-4-1-2-6-3-7-4/h3-7,9H,8H2,1-2H3,(H,14,15,16);1-3H,(H2,5,6,7)
InChIKeyNRENUEMWVSOQAM-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.16
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine (PubChem CID 159861380) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine
PubChem CID159861380
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine
SMILESCOc1ccc(CNc2ccncn2)c(OC)c1.Nc1ccncn1
InChIInChI=1S/C13H15N3O2.C4H5N3/c1-17-11-4-3-10(12(7-11)18-2)8-15-13-5-6-14-9-16-13;5-4-1-2-6-3-7-4/h3-7,9H,8H2,1-2H3,(H,14,15,16);1-3H,(H2,5,6,7)
InChIKeyNRENUEMWVSOQAM-UHFFFAOYSA-N
XLogP2.16
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-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

N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
4-N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80815552
4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine
CID 169247534
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
4-N-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoroethyl)pyrimidine-4,6-diamine
CID 170305614
4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine
CID 175947842
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 152662763
6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 171705218
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine (CID 159861380) is N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine is COc1ccc(CNc2ccncn2)c(OC)c1.Nc1ccncn1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine?
The InChIKey is NRENUEMWVSOQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.C4H5N3/c1-17-11-4-3-10(12(7-11)18-2)8-15-13-5-6-14-9-16-13;5-4-1-2-6-3-7-4/h3-7,9H,8H2,1-2H3,(H,14,15,16);1-3H,(H2,5,6,7).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine has a molecular weight of 340.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine is sourced from PubChem (CID 159861380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).