(5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide

C10H15FN4O — CID 175974026

IUPAC(5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide
SMILESNC(=O)[C@@]1(F)C=NC([C@H]2CCCNC2)=NC1
InChIInChI=1S/C10H15FN4O/c11-10(9(12)16)5-14-8(15-6-10)7-2-1-3-13-4-7/h5,7,13H,1-4,6H2,(H2,12,16)/t7-,10+/m0/s1
InChIKeyGPWSLNRPNVZEMI-OIBJUYFYSA-N
MW226.25 g/mol
LogP-0.34
Rot. Bonds2

About (5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide

(5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide (PubChem CID 175974026) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is (5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide
PubChem CID175974026
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name(5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide
SMILESNC(=O)[C@@]1(F)C=NC([C@H]2CCCNC2)=NC1
InChIInChI=1S/C10H15FN4O/c11-10(9(12)16)5-14-8(15-6-10)7-2-1-3-13-4-7/h5,7,13H,1-4,6H2,(H2,12,16)/t7-,10+/m0/s1
InChIKeyGPWSLNRPNVZEMI-OIBJUYFYSA-N
XLogP-0.34
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide?
The IUPAC name of (5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide (CID 175974026) is (5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide.
What is the SMILES notation for (5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide?
The canonical SMILES for (5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide is NC(=O)[C@@]1(F)C=NC([C@H]2CCCNC2)=NC1.
What is the InChIKey of (5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide?
The InChIKey is GPWSLNRPNVZEMI-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H15FN4O/c11-10(9(12)16)5-14-8(15-6-10)7-2-1-3-13-4-7/h5,7,13H,1-4,6H2,(H2,12,16)/t7-,10+/m0/s1.
What are the key properties of (5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide?
(5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide has a molecular weight of 226.25 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-fluoro-2-[(3S)-piperidin-3-yl]-4H-pyrimidine-5-carboxamide is sourced from PubChem (CID 175974026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).