5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

C15H19ClN4O — CID 80796240

IUPAC5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(N(C)c2ccccc2OC)n1
InChIInChI=1S/C15H19ClN4O/c1-4-9-17-15-18-10-11(16)14(19-15)20(2)12-7-5-6-8-13(12)21-3/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyBGPXQAKXEFHNQY-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.73
Rot. Bonds6

About 5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80796240) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80796240
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(N(C)c2ccccc2OC)n1
InChIInChI=1S/C15H19ClN4O/c1-4-9-17-15-18-10-11(16)14(19-15)20(2)12-7-5-6-8-13(12)21-3/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyBGPXQAKXEFHNQY-UHFFFAOYSA-N
XLogP3.73
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine 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

5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80755875
1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 80810389
5-chloro-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80810330
5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846421
5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
CID 80764996
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
3-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810662
3,5-dichloro-6-hydrazinyl-N-(2-methoxyphenyl)-N-methylpyridin-2-amine
CID 102761927
2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 79072490
N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62281682
5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine
CID 80846532
5-chloro-N-propyl-4-(2,4,5-trichlorophenoxy)pyrimidin-2-amine
CID 80866668

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80796240) is 5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(N(C)c2ccccc2OC)n1.
What is the InChIKey of 5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is BGPXQAKXEFHNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-4-9-17-15-18-10-11(16)14(19-15)20(2)12-7-5-6-8-13(12)21-3/h5-8,10H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 306.80 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 5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80796240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).