N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide

C16H19F2N5O — CID 109301831

IUPACN-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCCNc1nccc(C(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C16H19F2N5O/c1-23(2)9-3-7-19-16-20-8-6-14(22-16)15(24)21-13-5-4-11(17)10-12(13)18/h4-6,8,10H,3,7,9H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyOAKRBCQWJRQHKP-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.37
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide

N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide (PubChem CID 109301831) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
PubChem CID109301831
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC NameN-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCCNc1nccc(C(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C16H19F2N5O/c1-23(2)9-3-7-19-16-20-8-6-14(22-16)15(24)21-13-5-4-11(17)10-12(13)18/h4-6,8,10H,3,7,9H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyOAKRBCQWJRQHKP-UHFFFAOYSA-N
XLogP2.37
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.37
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

N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208033
N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305603
4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887881
N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207420
N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301529
2-[3-(dimethylamino)propylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109301852
N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303393
N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301799
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109315022
N-(2,4-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314880
N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109295730
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306600

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide (CID 109301831) is N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide is CN(C)CCCNc1nccc(C(=O)Nc2ccc(F)cc2F)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
The InChIKey is OAKRBCQWJRQHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c1-23(2)9-3-7-19-16-20-8-6-14(22-16)15(24)21-13-5-4-11(17)10-12(13)18/h4-6,8,10H,3,7,9H2,1-2H3,(H,21,24)(H,19,20,22).
What are the key properties of N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109301831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).