N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide

C15H16F2N4O2 — CID 109300152

IUPACN-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNc1nccc(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H16F2N4O2/c1-23-8-2-6-18-15-19-7-5-13(21-15)14(22)20-10-3-4-11(16)12(17)9-10/h3-5,7,9H,2,6,8H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyFJYMJHUGFAZOQV-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.46
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide

N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide (PubChem CID 109300152) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
PubChem CID109300152
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC NameN-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNc1nccc(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H16F2N4O2/c1-23-8-2-6-18-15-19-7-5-13(21-15)14(22)20-10-3-4-11(16)12(17)9-10/h3-5,7,9H,2,6,8H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyFJYMJHUGFAZOQV-UHFFFAOYSA-N
XLogP2.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.46
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-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206385
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109303743
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109300112
N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300058
2-(4-tert-butylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109316405
4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082791
N-(3,4-difluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315178
N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318035
N-(3-chloro-4-methylphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312009
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299759

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide (CID 109300152) is N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide is COCCCNc1nccc(C(=O)Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The InChIKey is FJYMJHUGFAZOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c1-23-8-2-6-18-15-19-7-5-13(21-15)14(22)20-10-3-4-11(16)12(17)9-10/h3-5,7,9H,2,6,8H2,1H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).