5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine

C15H19ClFN5 — CID 67281962

IUPAC5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1nc(N)ncc1-c1cccc(Cl)c1F
InChIInChI=1S/C15H19ClFN5/c1-22(2)8-4-7-19-14-11(9-20-15(18)21-14)10-5-3-6-12(16)13(10)17/h3,5-6,9H,4,7-8H2,1-2H3,(H3,18,19,20,21)
InChIKeyYQLOJBWSGSTYER-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.88
Rot. Bonds6

About 5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine

5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine (PubChem CID 67281962) has the molecular formula C15H19ClFN5 and a molecular weight of 323.80 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
PubChem CID67281962
Molecular FormulaC15H19ClFN5
Molecular Weight323.80 g/mol
Exact Mass323.13
IUPAC Name5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1nc(N)ncc1-c1cccc(Cl)c1F
InChIInChI=1S/C15H19ClFN5/c1-22(2)8-4-7-19-14-11(9-20-15(18)21-14)10-5-3-6-12(16)13(10)17/h3,5-6,9H,4,7-8H2,1-2H3,(H3,18,19,20,21)
InChIKeyYQLOJBWSGSTYER-UHFFFAOYSA-N
XLogP2.88
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 68646518
4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine
CID 80816916
N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79081639
4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine
CID 80777648
N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79081851
5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823116
5-(3-fluorophenyl)-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 68903360
4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine
CID 80771946
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine
CID 61228791
N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908156
5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
CID 130505088
5-[3-[3-(dimethylamino)phenyl]phenyl]-4-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 68919880

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine (CID 67281962) is 5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine is CN(C)CCCNc1nc(N)ncc1-c1cccc(Cl)c1F.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The InChIKey is YQLOJBWSGSTYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN5/c1-22(2)8-4-7-19-14-11(9-20-15(18)21-14)10-5-3-6-12(16)13(10)17/h3,5-6,9H,4,7-8H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine has a molecular weight of 323.80 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67281962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).