4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine

C15H19ClN4 — CID 80833018

IUPAC4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C15H19ClN4/c1-3-7-17-15-19-9-11(2)14(20-15)18-10-12-5-4-6-13(16)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyQFLIPBKSNSEIFR-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.87
Rot. Bonds6

About 4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80833018) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80833018
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C15H19ClN4/c1-3-7-17-15-19-9-11(2)14(20-15)18-10-12-5-4-6-13(16)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyQFLIPBKSNSEIFR-UHFFFAOYSA-N
XLogP3.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3-methoxyphenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80773950
5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117089684
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963
N-methyl-3-[[[5-methyl-2-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]benzamide
CID 133349118
4-chloro-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80826124
4-N-[(4-bromothiophen-2-yl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80837442
disodium;2-[(3-chlorophenyl)methylamino]-4-oxidopyrimidine-5-carboxylate
CID 140677685
4-N-(4-fluoro-3-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80824532
4-N-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80783654
methyl 5-[[4-[(3-chlorophenyl)methylamino]-5-methylpyrimidin-2-yl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 155572786
5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 102908907
5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80778083

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80833018) is 4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(NCc2cccc(Cl)c2)n1.
What is the InChIKey of 4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is QFLIPBKSNSEIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-3-7-17-15-19-9-11(2)14(20-15)18-10-12-5-4-6-13(16)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-[(3-chlorophenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 290.80 g/mol, XLogP of 3.87, 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]-5-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80833018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).