2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C16H17FN4O2 — CID 109300968

IUPAC2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1ccnc(Nc2ccccc2F)n1
InChIInChI=1S/C16H17FN4O2/c17-12-5-1-2-6-13(12)20-16-18-8-7-14(21-16)15(22)19-10-11-4-3-9-23-11/h1-2,5-8,11H,3-4,9-10H2,(H,19,22)(H,18,20,21)
InChIKeyWZOIQFOIAYDUDM-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.27
Rot. Bonds5

About 2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109300968) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109300968
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1ccnc(Nc2ccccc2F)n1
InChIInChI=1S/C16H17FN4O2/c17-12-5-1-2-6-13(12)20-16-18-8-7-14(21-16)15(22)19-10-11-4-3-9-23-11/h1-2,5-8,11H,3-4,9-10H2,(H,19,22)(H,18,20,21)
InChIKeyWZOIQFOIAYDUDM-UHFFFAOYSA-N
XLogP2.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300970
2-(2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300951
5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185019
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300998
2-[2,6-di(propan-2-yl)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301022
2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301029
6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853587
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-(oxolan-2-ylmethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109300990
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300922
2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300891
N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109300934

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109300968) is 2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is O=C(NCC1CCCO1)c1ccnc(Nc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is WZOIQFOIAYDUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-12-5-1-2-6-13(12)20-16-18-8-7-14(21-16)15(22)19-10-11-4-3-9-23-11/h1-2,5-8,11H,3-4,9-10H2,(H,19,22)(H,18,20,21).
What are the key properties of 2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).