4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine

C16H21ClN4 — CID 80985283

IUPAC4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NCc2cccc(Cl)c2)c1C
InChIInChI=1S/C16H21ClN4/c1-4-14-20-15(18-5-2)11(3)16(21-14)19-10-12-7-6-8-13(17)9-12/h6-9H,4-5,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyXZFOKFRCFLPJAW-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.04
Rot. Bonds6

About 4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine

4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80985283) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80985283
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NCc2cccc(Cl)c2)c1C
InChIInChI=1S/C16H21ClN4/c1-4-14-20-15(18-5-2)11(3)16(21-14)19-10-12-7-6-8-13(17)9-12/h6-9H,4-5,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyXZFOKFRCFLPJAW-UHFFFAOYSA-N
XLogP4.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62192554
4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80833431
6-N,2-diethyl-5-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80980974
3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80971647
6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80981798
3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 81007453
6-N,2-diethyl-5-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80985830
2-tert-butyl-4-N-[(3-chlorophenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80985280
3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756388
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80776127
6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 106900577
2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62539424

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine (CID 80985283) is 4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine is CCNc1nc(CC)nc(NCc2cccc(Cl)c2)c1C.
What is the InChIKey of 4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is XZFOKFRCFLPJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-4-14-20-15(18-5-2)11(3)16(21-14)19-10-12-7-6-8-13(17)9-12/h6-9H,4-5,10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine?
4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 304.82 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80985283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).