1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide

C11H16ClN5O — CID 47357719

IUPAC1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1cc(Cl)nc(N)n1
InChIInChI=1S/C11H16ClN5O/c1-6-2-3-7(10(13)18)5-17(6)9-4-8(12)15-11(14)16-9/h4,6-7H,2-3,5H2,1H3,(H2,13,18)(H2,14,15,16)
InChIKeyQAJJPYUVJQSHPF-UHFFFAOYSA-N
MW269.74 g/mol
LogP0.80
Rot. Bonds2

About 1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide

1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide (PubChem CID 47357719) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
PubChem CID47357719
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1cc(Cl)nc(N)n1
InChIInChI=1S/C11H16ClN5O/c1-6-2-3-7(10(13)18)5-17(6)9-4-8(12)15-11(14)16-9/h4,6-7H,2-3,5H2,1H3,(H2,13,18)(H2,14,15,16)
InChIKeyQAJJPYUVJQSHPF-UHFFFAOYSA-N
XLogP0.80
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide (CID 47357719) is 1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1cc(Cl)nc(N)n1.
What is the InChIKey of 1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The InChIKey is QAJJPYUVJQSHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-6-2-3-7(10(13)18)5-17(6)9-4-8(12)15-11(14)16-9/h4,6-7H,2-3,5H2,1H3,(H2,13,18)(H2,14,15,16).
What are the key properties of 1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide has a molecular weight of 269.74 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 47357719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).