6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine

C17H22ClFN4 — CID 112876661

IUPAC6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(Nc2ccc(F)c(Cl)c2)nc(C)n1
InChIInChI=1S/C17H22ClFN4/c1-4-8-23(9-5-2)17-11-16(20-12(3)21-17)22-13-6-7-15(19)14(18)10-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21,22)
InChIKeyQBWMWQDJFGECTB-UHFFFAOYSA-N
MW336.84 g/mol
LogP4.95
Rot. Bonds7

About 6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine

6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine (PubChem CID 112876661) has the molecular formula C17H22ClFN4 and a molecular weight of 336.84 g/mol. Its IUPAC name is 6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
PubChem CID112876661
Molecular FormulaC17H22ClFN4
Molecular Weight336.84 g/mol
Exact Mass336.15
IUPAC Name6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(Nc2ccc(F)c(Cl)c2)nc(C)n1
InChIInChI=1S/C17H22ClFN4/c1-4-8-23(9-5-2)17-11-16(20-12(3)21-17)22-13-6-7-15(19)14(18)10-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21,22)
InChIKeyQBWMWQDJFGECTB-UHFFFAOYSA-N
XLogP4.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(4-chlorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876660
6-N-(3-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876693
6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876654
4-N-benzyl-6-N-(3-chloro-4-fluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872245
6-N-(3-chloro-4-methoxyphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875685
4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924247
6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine
CID 167801224
4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876167
N-(3-chloro-4-fluorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870917
2-methyl-4-N,4-N-dipropyl-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112876701
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
6-(3-chloro-4-fluoroanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366264

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine (CID 112876661) is 6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine is CCCN(CCC)c1cc(Nc2ccc(F)c(Cl)c2)nc(C)n1.
What is the InChIKey of 6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The InChIKey is QBWMWQDJFGECTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN4/c1-4-8-23(9-5-2)17-11-16(20-12(3)21-17)22-13-6-7-15(19)14(18)10-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21,22).
What are the key properties of 6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine?
6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine has a molecular weight of 336.84 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 112876661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).