4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine

C15H18ClFN4 — CID 80803504

IUPAC4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C15H18ClFN4/c1-3-6-18-14-10(2)15(21-9-20-14)19-8-11-4-5-13(17)12(16)7-11/h4-5,7,9H,3,6,8H2,1-2H3,(H2,18,19,20,21)
InChIKeyYEQXJKKNXHIKRV-UHFFFAOYSA-N
MW308.79 g/mol
LogP4.01
Rot. Bonds6

About 4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80803504) has the molecular formula C15H18ClFN4 and a molecular weight of 308.79 g/mol. Its IUPAC name is 4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80803504
Molecular FormulaC15H18ClFN4
Molecular Weight308.79 g/mol
Exact Mass308.12
IUPAC Name4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C15H18ClFN4/c1-3-6-18-14-10(2)15(21-9-20-14)19-8-11-4-5-13(17)12(16)7-11/h4-5,7,9H,3,6,8H2,1-2H3,(H2,18,19,20,21)
InChIKeyYEQXJKKNXHIKRV-UHFFFAOYSA-N
XLogP4.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80750556
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534286
5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 114071730
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80832814
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271953
4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 82802010
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 106875693
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 62533114
4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794560
5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80772654
4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80825088

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80803504) is 4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCc2ccc(F)c(Cl)c2)c1C.
What is the InChIKey of 4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is YEQXJKKNXHIKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4/c1-3-6-18-14-10(2)15(21-9-20-14)19-8-11-4-5-13(17)12(16)7-11/h4-5,7,9H,3,6,8H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 308.79 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80803504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).