N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide

C13H19N5O2 — CID 83103920

IUPACN-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
SMILESCNc1cc(N2CCOCC2C(=O)NC2CC2)ncn1
InChIInChI=1S/C13H19N5O2/c1-14-11-6-12(16-8-15-11)18-4-5-20-7-10(18)13(19)17-9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H,17,19)(H,14,15,16)
InChIKeyNOLHWABSPPUCKE-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.00
Rot. Bonds4

About N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide

N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide (PubChem CID 83103920) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
PubChem CID83103920
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
SMILESCNc1cc(N2CCOCC2C(=O)NC2CC2)ncn1
InChIInChI=1S/C13H19N5O2/c1-14-11-6-12(16-8-15-11)18-4-5-20-7-10(18)13(19)17-9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H,17,19)(H,14,15,16)
InChIKeyNOLHWABSPPUCKE-UHFFFAOYSA-N
XLogP0.00
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide (CID 83103920) is N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide is CNc1cc(N2CCOCC2C(=O)NC2CC2)ncn1.
What is the InChIKey of N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide?
The InChIKey is NOLHWABSPPUCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-14-11-6-12(16-8-15-11)18-4-5-20-7-10(18)13(19)17-9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H,17,19)(H,14,15,16).
What are the key properties of N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide?
N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 83103920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).