1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide

C17H21N5O2 — CID 70671738

IUPAC1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide
SMILESCc1nc(N)nc(N2CCCC(C(N)=O)C2)c1-c1cccc(O)c1
InChIInChI=1S/C17H21N5O2/c1-10-14(11-4-2-6-13(23)8-11)16(21-17(19)20-10)22-7-3-5-12(9-22)15(18)24/h2,4,6,8,12,23H,3,5,7,9H2,1H3,(H2,18,24)(H2,19,20,21)
InChIKeyFJOBSAMGDDRIFM-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.44
Rot. Bonds3

About 1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide

1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 70671738) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID70671738
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide
SMILESCc1nc(N)nc(N2CCCC(C(N)=O)C2)c1-c1cccc(O)c1
InChIInChI=1S/C17H21N5O2/c1-10-14(11-4-2-6-13(23)8-11)16(21-17(19)20-10)22-7-3-5-12(9-22)15(18)24/h2,4,6,8,12,23H,3,5,7,9H2,1H3,(H2,18,24)(H2,19,20,21)
InChIKeyFJOBSAMGDDRIFM-UHFFFAOYSA-N
XLogP1.44
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide (CID 70671738) is 1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide is Cc1nc(N)nc(N2CCCC(C(N)=O)C2)c1-c1cccc(O)c1.
What is the InChIKey of 1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is FJOBSAMGDDRIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10-14(11-4-2-6-13(23)8-11)16(21-17(19)20-10)22-7-3-5-12(9-22)15(18)24/h2,4,6,8,12,23H,3,5,7,9H2,1H3,(H2,18,24)(H2,19,20,21).
What are the key properties of 1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide?
1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 70671738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).