4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine

C15H19ClN4 — CID 80981525

IUPAC4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCc2ccccc2Cl)n1
InChIInChI=1S/C15H19ClN4/c1-3-6-13-19-14(17)10(2)15(20-13)18-9-11-7-4-5-8-12(11)16/h4-5,7-8H,3,6,9H2,1-2H3,(H3,17,18,19,20)
InChIKeyUSFQFWLWUSNLKS-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.59
Rot. Bonds5

About 4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine

4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80981525) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80981525
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCc2ccccc2Cl)n1
InChIInChI=1S/C15H19ClN4/c1-3-6-13-19-14(17)10(2)15(20-13)18-9-11-7-4-5-8-12(11)16/h4-5,7-8H,3,6,9H2,1-2H3,(H3,17,18,19,20)
InChIKeyUSFQFWLWUSNLKS-UHFFFAOYSA-N
XLogP3.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80784843
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946742
6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
CID 63727891
5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
CID 104592591
2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80981869
4-N-[(2-bromophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986834
4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80980852
4-N-[2-(methoxymethyl)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80986562
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993
5-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80983242
4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80987278
4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80975992

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine (CID 80981525) is 4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(NCc2ccccc2Cl)n1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is USFQFWLWUSNLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-3-6-13-19-14(17)10(2)15(20-13)18-9-11-7-4-5-8-12(11)16/h4-5,7-8H,3,6,9H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine?
4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 290.80 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).