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

C14H17FN6O — CID 71245036

IUPAC3-[[5-fluoro-4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]amino]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1Nc1ncc(F)c(N[C@@H]2CCCNC2)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)/t9-/m1/s1
InChIKeyFPPXJPWLMKIXFC-SECBINFHSA-N
MW304.33 g/mol
LogP1.21
Rot. Bonds4

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

3-[[5-fluoro-4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]amino]-1H-pyridin-2-one (PubChem CID 71245036) has the molecular formula C14H17FN6O and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-[[5-fluoro-4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[5-fluoro-4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]amino]-1H-pyridin-2-one
PubChem CID71245036
Molecular FormulaC14H17FN6O
Molecular Weight304.33 g/mol
Exact Mass304.14
IUPAC Name3-[[5-fluoro-4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]amino]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1Nc1ncc(F)c(N[C@@H]2CCCNC2)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)/t9-/m1/s1
InChIKeyFPPXJPWLMKIXFC-SECBINFHSA-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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Related Compounds

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CID 137631507
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CID 172589892
CID 172589892
CID 71061738
CID 71061738
CID 71061743
CID 71061743
CID 71062080
CID 71062080
CID 71245037
CID 71245037
CID 71245058
CID 71245058
CID 71245059
CID 71245059
CID 71245117
CID 71245117
CID 71245118
CID 71245118
CID 90225304
CID 90225304

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 3-[[5-fluoro-4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]amino]-1H-pyridin-2-one (CID 71245036) is 3-[[5-fluoro-4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[5-fluoro-4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 3-[[5-fluoro-4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]amino]-1H-pyridin-2-one is O=c1[nH]cccc1Nc1ncc(F)c(N[C@@H]2CCCNC2)n1.
What is the InChIKey of 3-[[5-fluoro-4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]amino]-1H-pyridin-2-one?
The InChIKey is FPPXJPWLMKIXFC-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of 3-[[5-fluoro-4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]amino]-1H-pyridin-2-one?
3-[[5-fluoro-4-[[(3R)-piperidin-3-yl]amino]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-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 71245036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).