3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one

C14H17FN6O — CID 71245037

IUPAC3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1Nc1ncc(F)c(NC2CCCNC2)n1
InChIInChI=1S/C14H17FN6O/c15-10-8-18-14(20-11-4-2-6-17-13(11)22)21-12(10)19-9-3-1-5-16-7-9/h2,4,6,8-9,16H,1,3,5,7H2,(H,17,22)(H2,18,19,20,21)
InChIKeyFPPXJPWLMKIXFC-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.21
Rot. Bonds4

About 3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one

3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one (PubChem CID 71245037) has the molecular formula C14H17FN6O and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one
PubChem CID71245037
Molecular FormulaC14H17FN6O
Molecular Weight304.33 g/mol
Exact Mass304.14
IUPAC Name3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1Nc1ncc(F)c(NC2CCCNC2)n1
InChIInChI=1S/C14H17FN6O/c15-10-8-18-14(20-11-4-2-6-17-13(11)22)21-12(10)19-9-3-1-5-16-7-9/h2,4,6,8-9,16H,1,3,5,7H2,(H,17,22)(H2,18,19,20,21)
InChIKeyFPPXJPWLMKIXFC-UHFFFAOYSA-N
XLogP1.21
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one (CID 71245037) is 3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one is O=c1[nH]cccc1Nc1ncc(F)c(NC2CCCNC2)n1.
What is the InChIKey of 3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one?
The InChIKey is FPPXJPWLMKIXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6O/c15-10-8-18-14(20-11-4-2-6-17-13(11)22)21-12(10)19-9-3-1-5-16-7-9/h2,4,6,8-9,16H,1,3,5,7H2,(H,17,22)(H2,18,19,20,21).
What are the key properties of 3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one?
3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one has a molecular weight of 304.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-4-(piperidin-3-ylamino)pyrimidin-2-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 71245037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).