1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide

C13H21N5O2 — CID 50950377

IUPAC1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide
SMILESCC(C)Oc1cc(N2CCC(C(N)=O)CC2)nc(N)n1
InChIInChI=1S/C13H21N5O2/c1-8(2)20-11-7-10(16-13(15)17-11)18-5-3-9(4-6-18)12(14)19/h7-9H,3-6H2,1-2H3,(H2,14,19)(H2,15,16,17)
InChIKeyDGVPGTHIARJNGE-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.55
Rot. Bonds4

About 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide

1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 50950377) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID50950377
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide
SMILESCC(C)Oc1cc(N2CCC(C(N)=O)CC2)nc(N)n1
InChIInChI=1S/C13H21N5O2/c1-8(2)20-11-7-10(16-13(15)17-11)18-5-3-9(4-6-18)12(14)19/h7-9H,3-6H2,1-2H3,(H2,14,19)(H2,15,16,17)
InChIKeyDGVPGTHIARJNGE-UHFFFAOYSA-N
XLogP0.55
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide (CID 50950377) is 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide is CC(C)Oc1cc(N2CCC(C(N)=O)CC2)nc(N)n1.
What is the InChIKey of 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is DGVPGTHIARJNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-8(2)20-11-7-10(16-13(15)17-11)18-5-3-9(4-6-18)12(14)19/h7-9H,3-6H2,1-2H3,(H2,14,19)(H2,15,16,17).
What are the key properties of 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide?
1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50950377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).