2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine

C20H21ClN4O2 — CID 112891792

IUPAC2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2ccnc(NCc3ccccc3Cl)n2)cc1OC
InChIInChI=1S/C20H21ClN4O2/c1-26-17-8-7-14(11-18(17)27-2)12-23-19-9-10-22-20(25-19)24-13-15-5-3-4-6-16(15)21/h3-11H,12-13H2,1-2H3,(H2,22,23,24,25)
InChIKeyYURWBBFQLAKHPA-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.37
Rot. Bonds8

About 2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine

2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112891792) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112891792
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2ccnc(NCc3ccccc3Cl)n2)cc1OC
InChIInChI=1S/C20H21ClN4O2/c1-26-17-8-7-14(11-18(17)27-2)12-23-19-9-10-22-20(25-19)24-13-15-5-3-4-6-16(15)21/h3-11H,12-13H2,1-2H3,(H2,22,23,24,25)
InChIKeyYURWBBFQLAKHPA-UHFFFAOYSA-N
XLogP4.37
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-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

4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
4-N-(2-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897320
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892129
4-N-[(2-chlorophenyl)methyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891650
2-N-[(2-chlorophenyl)methyl]-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891782
4-N-benzyl-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112889425
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897039
2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112889572
4-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897321
4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889993
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 112891792) is 2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1ccc(CNc2ccnc(NCc3ccccc3Cl)n2)cc1OC.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is YURWBBFQLAKHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-26-17-8-7-14(11-18(17)27-2)12-23-19-9-10-22-20(25-19)24-13-15-5-3-4-6-16(15)21/h3-11H,12-13H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 384.87 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112891792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).