4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine

C16H21ClN4 — CID 80784552

IUPAC4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2cccc(Cl)c2)nc(C)n1
InChIInChI=1S/C16H21ClN4/c1-4-8-18-15-10-16(21-12(3)20-15)19-11(2)13-6-5-7-14(17)9-13/h5-7,9-11H,4,8H2,1-3H3,(H2,18,19,20,21)
InChIKeyRZSVTEUCAFCXGB-UHFFFAOYSA-N
MW304.83 g/mol
LogP4.43
Rot. Bonds6

About 4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80784552) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80784552
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2cccc(Cl)c2)nc(C)n1
InChIInChI=1S/C16H21ClN4/c1-4-8-18-15-10-16(21-12(3)20-15)19-11(2)13-6-5-7-14(17)9-13/h5-7,9-11H,4,8H2,1-3H3,(H2,18,19,20,21)
InChIKeyRZSVTEUCAFCXGB-UHFFFAOYSA-N
XLogP4.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802405
N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80896965
6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80784415
2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80824404
2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783678
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80800955
2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80798243
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
4-N-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80783654
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80784552) is 4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)c2cccc(Cl)c2)nc(C)n1.
What is the InChIKey of 4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is RZSVTEUCAFCXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-4-8-18-15-10-16(21-12(3)20-15)19-11(2)13-6-5-7-14(17)9-13/h5-7,9-11H,4,8H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 304.83 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80784552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).