2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride

C17H21ClFN5O2 — CID 155089560

IUPAC2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride
SMILESCC1(N)CCN(c2nc(C(N)=O)c(-c3cccc(F)c3)c(=O)[nH]2)CC1.Cl
InChIInChI=1S/C17H20FN5O2.ClH/c1-17(20)5-7-23(8-6-17)16-21-13(14(19)24)12(15(25)22-16)10-3-2-4-11(18)9-10;/h2-4,9H,5-8,20H2,1H3,(H2,19,24)(H,21,22,25);1H
InChIKeyVPUPHJWCNCOITA-UHFFFAOYSA-N
MW381.84 g/mol
LogP1.41
Rot. Bonds3

About 2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride

2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride (PubChem CID 155089560) has the molecular formula C17H21ClFN5O2 and a molecular weight of 381.84 g/mol. Its IUPAC name is 2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride
PubChem CID155089560
Molecular FormulaC17H21ClFN5O2
Molecular Weight381.84 g/mol
Exact Mass381.14
IUPAC Name2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride
SMILESCC1(N)CCN(c2nc(C(N)=O)c(-c3cccc(F)c3)c(=O)[nH]2)CC1.Cl
InChIInChI=1S/C17H20FN5O2.ClH/c1-17(20)5-7-23(8-6-17)16-21-13(14(19)24)12(15(25)22-16)10-3-2-4-11(18)9-10;/h2-4,9H,5-8,20H2,1H3,(H2,19,24)(H,21,22,25);1H
InChIKeyVPUPHJWCNCOITA-UHFFFAOYSA-N
XLogP1.41
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of 2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride (CID 155089560) is 2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride is CC1(N)CCN(c2nc(C(N)=O)c(-c3cccc(F)c3)c(=O)[nH]2)CC1.Cl.
What is the InChIKey of 2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride?
The InChIKey is VPUPHJWCNCOITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2.ClH/c1-17(20)5-7-23(8-6-17)16-21-13(14(19)24)12(15(25)22-16)10-3-2-4-11(18)9-10;/h2-4,9H,5-8,20H2,1H3,(H2,19,24)(H,21,22,25);1H.
What are the key properties of 2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride?
2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride has a molecular weight of 381.84 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-4-methylpiperidin-1-yl)-5-(3-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 155089560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).