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

C16H21ClN4 — CID 80961121

IUPAC4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccc(Cl)cc2)nc(C(C)C)n1
InChIInChI=1S/C16H21ClN4/c1-11(2)16-19-14(18-3)9-15(20-16)21(4)10-12-5-7-13(17)8-6-12/h5-9,11H,10H2,1-4H3,(H,18,19,20)
InChIKeyLPQMVGUIZMQQOX-UHFFFAOYSA-N
MW304.83 g/mol
LogP3.93
Rot. Bonds5

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

4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80961121) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80961121
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccc(Cl)cc2)nc(C(C)C)n1
InChIInChI=1S/C16H21ClN4/c1-11(2)16-19-14(18-3)9-15(20-16)21(4)10-12-5-7-13(17)8-6-12/h5-9,11H,10H2,1-4H3,(H,18,19,20)
InChIKeyLPQMVGUIZMQQOX-UHFFFAOYSA-N
XLogP3.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80961827
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967077
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80961506
4-N-[(4-chlorophenyl)methyl]-2-N,4-N-dimethylpyridine-2,4-diamine
CID 113367580
N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
CID 80943087
4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 113221848
4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958179
4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967150
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80962058
4-N-[(3,4-difluorophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961685
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896376
N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 133488301

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80961121) is 4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1cc(N(C)Cc2ccc(Cl)cc2)nc(C(C)C)n1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is LPQMVGUIZMQQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-11(2)16-19-14(18-3)9-15(20-16)21(4)10-12-5-7-13(17)8-6-12/h5-9,11H,10H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 304.83 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80961121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).