4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine

C15H19F2N5 — CID 112887881

IUPAC4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1nccc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C15H19F2N5/c1-22(2)9-3-7-18-15-19-8-6-14(21-15)20-13-5-4-11(16)10-12(13)17/h4-6,8,10H,3,7,9H2,1-2H3,(H2,18,19,20,21)
InChIKeyLLNGMRILLYJVEX-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.86
Rot. Bonds7

About 4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine

4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine (PubChem CID 112887881) has the molecular formula C15H19F2N5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
PubChem CID112887881
Molecular FormulaC15H19F2N5
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1nccc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C15H19F2N5/c1-22(2)9-3-7-18-15-19-8-6-14(21-15)20-13-5-4-11(16)10-12(13)17/h4-6,8,10H,3,7,9H2,1-2H3,(H2,18,19,20,21)
InChIKeyLLNGMRILLYJVEX-UHFFFAOYSA-N
XLogP2.86
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.86
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

4-N-(2,6-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887902
N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301831
3-N-(2,4-difluorophenyl)-5-N-[3-(dimethylamino)propyl]-1,2,4-triazine-3,5-diamine
CID 112945570
2-N-[3-(dimethylamino)propyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112887815
2-N-(2,4-difluorophenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886150
N-(2,4-difluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927965
4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80759482
4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887250
4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112899771
4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887825
N-[4-[[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112887854
2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762563

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine (CID 112887881) is 4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine is CN(C)CCCNc1nccc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The InChIKey is LLNGMRILLYJVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5/c1-22(2)9-3-7-18-15-19-8-6-14(21-15)20-13-5-4-11(16)10-12(13)17/h4-6,8,10H,3,7,9H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine has a molecular weight of 307.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112887881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).