4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C22H25ClN4 — CID 112872608

IUPAC4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccccc2Cl)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C22H25ClN4/c1-16(2)27(15-18-9-5-4-6-10-18)22-13-21(25-17(3)26-22)24-14-19-11-7-8-12-20(19)23/h4-13,16H,14-15H2,1-3H3,(H,24,25,26)
InChIKeyZIWRFYUCIHPZNM-UHFFFAOYSA-N
MW380.92 g/mol
LogP5.47
Rot. Bonds7

About 4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine

4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 112872608) has the molecular formula C22H25ClN4 and a molecular weight of 380.92 g/mol. Its IUPAC name is 4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID112872608
Molecular FormulaC22H25ClN4
Molecular Weight380.92 g/mol
Exact Mass380.18
IUPAC Name4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccccc2Cl)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C22H25ClN4/c1-16(2)27(15-18-9-5-4-6-10-18)22-13-21(25-17(3)26-22)24-14-19-11-7-8-12-20(19)23/h4-13,16H,14-15H2,1-3H3,(H,24,25,26)
InChIKeyZIWRFYUCIHPZNM-UHFFFAOYSA-N
XLogP5.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-benzyl-6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872925
4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80754444
4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867908
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112872603
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891807
6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112872614
2-[[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194876
4-N-benzyl-6-N-(3-methoxyphenyl)-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876099
4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80757098
methyl 4-[[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112876113
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112915465
N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine
CID 66324628

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 112872608) is 4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine is Cc1nc(NCc2ccccc2Cl)cc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is ZIWRFYUCIHPZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4/c1-16(2)27(15-18-9-5-4-6-10-18)22-13-21(25-17(3)26-22)24-14-19-11-7-8-12-20(19)23/h4-13,16H,14-15H2,1-3H3,(H,24,25,26).
What are the key properties of 4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 380.92 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112872608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).