4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine

C16H21ClN4 — CID 80738260

IUPAC4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2cccc(Cl)c2C)c1C(C)C
InChIInChI=1S/C16H21ClN4/c1-5-18-15-14(10(2)3)16(20-9-19-15)21-13-8-6-7-12(17)11(13)4/h6-10H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeyVSIVOVSXAIQYOT-UHFFFAOYSA-N
MW304.83 g/mol
LogP4.74
Rot. Bonds5

About 4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80738260) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80738260
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2cccc(Cl)c2C)c1C(C)C
InChIInChI=1S/C16H21ClN4/c1-5-18-15-14(10(2)3)16(20-9-19-15)21-13-8-6-7-12(17)11(13)4/h6-10H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeyVSIVOVSXAIQYOT-UHFFFAOYSA-N
XLogP4.74
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80737993
6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80755254
4-N-(2-bromo-3-chlorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 103481929
4-N-(4-bromo-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80748618
N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80927804
N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80927392
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095
6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80863799
6-N-ethyl-4-N-(3-methylsulfanylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767948
4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135206
6-N-ethyl-4-N-(4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761235
6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80844937

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80738260) is 4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(Nc2cccc(Cl)c2C)c1C(C)C.
What is the InChIKey of 4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is VSIVOVSXAIQYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-5-18-15-14(10(2)3)16(20-9-19-15)21-13-8-6-7-12(17)11(13)4/h6-10H,5H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 304.83 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80738260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).