6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C18H16FN5O — CID 109348017

IUPAC6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(NCc2ccccc2F)ncn1
InChIInChI=1S/C18H16FN5O/c19-15-4-2-1-3-14(15)11-21-17-9-16(23-12-24-17)18(25)22-10-13-5-7-20-8-6-13/h1-9,12H,10-11H2,(H,22,25)(H,21,23,24)
InChIKeySAGDIWQCUOSYNK-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.55
Rot. Bonds6

About 6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109348017) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109348017
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(NCc2ccccc2F)ncn1
InChIInChI=1S/C18H16FN5O/c19-15-4-2-1-3-14(15)11-21-17-9-16(23-12-24-17)18(25)22-10-13-5-7-20-8-6-13/h1-9,12H,10-11H2,(H,22,25)(H,21,23,24)
InChIKeySAGDIWQCUOSYNK-UHFFFAOYSA-N
XLogP2.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
6-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348842
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112859560
6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464
6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339637
6-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350279
6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109338279
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350146
N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348071
N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348061
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347632

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 109348017) is 6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1ccncc1)c1cc(NCc2ccccc2F)ncn1.
What is the InChIKey of 6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is SAGDIWQCUOSYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c19-15-4-2-1-3-14(15)11-21-17-9-16(23-12-24-17)18(25)22-10-13-5-7-20-8-6-13/h1-9,12H,10-11H2,(H,22,25)(H,21,23,24).
What are the key properties of 6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109348017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).