4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine

C16H22ClN5 — CID 112870195

IUPAC4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCN(C)C)cc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H22ClN5/c1-12-20-15(18-8-9-22(2)3)10-16(21-12)19-11-13-4-6-14(17)7-5-13/h4-7,10H,8-9,11H2,1-3H3,(H2,18,19,20,21)
InChIKeyWYNCHNTUMFLASO-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.02
Rot. Bonds7

About 4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112870195) has the molecular formula C16H22ClN5 and a molecular weight of 319.84 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112870195
Molecular FormulaC16H22ClN5
Molecular Weight319.84 g/mol
Exact Mass319.16
IUPAC Name4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCN(C)C)cc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H22ClN5/c1-12-20-15(18-8-9-22(2)3)10-16(21-12)19-11-13-4-6-14(17)7-5-13/h4-7,10H,8-9,11H2,1-3H3,(H2,18,19,20,21)
InChIKeyWYNCHNTUMFLASO-UHFFFAOYSA-N
XLogP3.02
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112871519
4-N-tert-butyl-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872702
4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870518
4-N-[(4-chlorophenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872700
4-N-(4-chlorophenyl)-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870610
4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80769589
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868436
6-N-[2-(dimethylamino)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112857387
N-[2-(dimethylamino)ethyl]-2-methyl-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109366171
2-N,4-N-bis[(4-chlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56646930
N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine
CID 82454030
6-[(4-chlorophenyl)methylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109370085

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine (CID 112870195) is 4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(NCCN(C)C)cc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is WYNCHNTUMFLASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5/c1-12-20-15(18-8-9-22(2)3)10-16(21-12)19-11-13-4-6-14(17)7-5-13/h4-7,10H,8-9,11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 319.84 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112870195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).