4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine

C14H16Cl2N4 — CID 80975992

IUPAC4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-3-4-12-19-13(17)8(2)14(20-12)18-11-6-5-9(15)7-10(11)16/h5-7H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKeyVWEWIEPDKRLYEE-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.37
Rot. Bonds4

About 4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine

4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80975992) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80975992
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-3-4-12-19-13(17)8(2)14(20-12)18-11-6-5-9(15)7-10(11)16/h5-7H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKeyVWEWIEPDKRLYEE-UHFFFAOYSA-N
XLogP4.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80993652
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80991950
4-N-(4-bromo-2-chlorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80994019
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995143
4-N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80976999
4-N-(5-chloro-2-methylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976793
4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 102855436
4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 106761086
4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80977407
4-N-[2-(methoxymethyl)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80986562
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980727
6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80989994

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine (CID 80975992) is 4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is VWEWIEPDKRLYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-3-4-12-19-13(17)8(2)14(20-12)18-11-6-5-9(15)7-10(11)16/h5-7H,3-4H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 311.22 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80975992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).