1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide

C14H21N5O — CID 80957124

IUPAC1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCNc1cc(N2CCC(C(N)=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C14H21N5O/c1-16-11-8-12(18-14(17-11)10-2-3-10)19-6-4-9(5-7-19)13(15)20/h8-10H,2-7H2,1H3,(H2,15,20)(H,16,17,18)
InChIKeyDYSSBUQWFSYDFF-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.10
Rot. Bonds4

About 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide

1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 80957124) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID80957124
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCNc1cc(N2CCC(C(N)=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C14H21N5O/c1-16-11-8-12(18-14(17-11)10-2-3-10)19-6-4-9(5-7-19)13(15)20/h8-10H,2-7H2,1H3,(H2,15,20)(H,16,17,18)
InChIKeyDYSSBUQWFSYDFF-UHFFFAOYSA-N
XLogP1.10
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide (CID 80957124) is 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide is CNc1cc(N2CCC(C(N)=O)CC2)nc(C2CC2)n1.
What is the InChIKey of 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is DYSSBUQWFSYDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-16-11-8-12(18-14(17-11)10-2-3-10)19-6-4-9(5-7-19)13(15)20/h8-10H,2-7H2,1H3,(H2,15,20)(H,16,17,18).
What are the key properties of 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 80957124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).