2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one

C18H19FN6O — CID 136821252

IUPAC2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H19FN6O/c19-13-5-3-11(4-6-13)14-9-21-24-17(14)12-2-1-7-25(10-12)15-8-16(26)23-18(20)22-15/h3-6,8-9,12H,1-2,7,10H2,(H,21,24)(H3,20,22,23,26)/t12-/m0/s1
InChIKeyUCINFBVISBXEBC-LBPRGKRZSA-N
MW354.39 g/mol
LogP2.27
Rot. Bonds3

About 2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136821252) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136821252
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H19FN6O/c19-13-5-3-11(4-6-13)14-9-21-24-17(14)12-2-1-7-25(10-12)15-8-16(26)23-18(20)22-15/h3-6,8-9,12H,1-2,7,10H2,(H,21,24)(H3,20,22,23,26)/t12-/m0/s1
InChIKeyUCINFBVISBXEBC-LBPRGKRZSA-N
XLogP2.27
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 136821252) is 2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one is Nc1nc(N2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is UCINFBVISBXEBC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN6O/c19-13-5-3-11(4-6-13)14-9-21-24-17(14)12-2-1-7-25(10-12)15-8-16(26)23-18(20)22-15/h3-6,8-9,12H,1-2,7,10H2,(H,21,24)(H3,20,22,23,26)/t12-/m0/s1.
What are the key properties of 2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 354.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136821252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).