1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide

C14H23N5O — CID 80753870

IUPAC1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide
SMILESCNc1ncnc(N2CCC(C(N)=O)CC2)c1C(C)C
InChIInChI=1S/C14H23N5O/c1-9(2)11-13(16-3)17-8-18-14(11)19-6-4-10(5-7-19)12(15)20/h8-10H,4-7H2,1-3H3,(H2,15,20)(H,16,17,18)
InChIKeyUVPJGMYNGOZJHH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.34
Rot. Bonds4

About 1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide

1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 80753870) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID80753870
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide
SMILESCNc1ncnc(N2CCC(C(N)=O)CC2)c1C(C)C
InChIInChI=1S/C14H23N5O/c1-9(2)11-13(16-3)17-8-18-14(11)19-6-4-10(5-7-19)12(15)20/h8-10H,4-7H2,1-3H3,(H2,15,20)(H,16,17,18)
InChIKeyUVPJGMYNGOZJHH-UHFFFAOYSA-N
XLogP1.34
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide (CID 80753870) is 1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide is CNc1ncnc(N2CCC(C(N)=O)CC2)c1C(C)C.
What is the InChIKey of 1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is UVPJGMYNGOZJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-9(2)11-13(16-3)17-8-18-14(11)19-6-4-10(5-7-19)12(15)20/h8-10H,4-7H2,1-3H3,(H2,15,20)(H,16,17,18).
What are the key properties of 1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide?
1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 80753870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).