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

C17H19FN4O2 — CID 109343891

IUPAC6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C17H19FN4O2/c18-13-5-3-12(4-6-13)9-19-16-8-15(21-11-22-16)17(23)20-10-14-2-1-7-24-14/h3-6,8,11,14H,1-2,7,9-10H2,(H,20,23)(H,19,21,22)
InChIKeyAAOXGCINUISZIF-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.14
Rot. Bonds6

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

6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109343891) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109343891
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C17H19FN4O2/c18-13-5-3-12(4-6-13)9-19-16-8-15(21-11-22-16)17(23)20-10-14-2-1-7-24-14/h3-6,8,11,14H,1-2,7,9-10H2,(H,20,23)(H,19,21,22)
InChIKeyAAOXGCINUISZIF-UHFFFAOYSA-N
XLogP2.14
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109343930
N-(oxolan-2-ylmethyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109344046
N-[(2-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343712
N-(furan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343710
N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343844
N-(oxolan-2-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109343999
6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339622
6-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109343757
N-(oxolan-2-ylmethyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344010
6-[(4-fluorophenyl)methylamino]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 7382821
6-[(4-fluorophenyl)methylamino]-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 7382822
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109343891) is 6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is O=C(NCC1CCCO1)c1cc(NCc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is AAOXGCINUISZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-5-3-12(4-6-13)9-19-16-8-15(21-11-22-16)17(23)20-10-14-2-1-7-24-14/h3-6,8,11,14H,1-2,7,9-10H2,(H,20,23)(H,19,21,22).
What are the key properties of 6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).