N-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide

C13H16N4O — CID 58296114

IUPACN-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(C2=CCNCC2)n1
InChIInChI=1S/C13H16N4O/c18-13(16-10-1-2-10)11-5-8-15-12(17-11)9-3-6-14-7-4-9/h3,5,8,10,14H,1-2,4,6-7H2,(H,16,18)
InChIKeyNWAXAIUKWSORSP-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.75
Rot. Bonds3

About N-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide

N-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide (PubChem CID 58296114) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide
PubChem CID58296114
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(C2=CCNCC2)n1
InChIInChI=1S/C13H16N4O/c18-13(16-10-1-2-10)11-5-8-15-12(17-11)9-3-6-14-7-4-9/h3,5,8,10,14H,1-2,4,6-7H2,(H,16,18)
InChIKeyNWAXAIUKWSORSP-UHFFFAOYSA-N
XLogP0.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide (CID 58296114) is N-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide is O=C(NC1CC1)c1ccnc(C2=CCNCC2)n1.
What is the InChIKey of N-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide?
The InChIKey is NWAXAIUKWSORSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-13(16-10-1-2-10)11-5-8-15-12(17-11)9-3-6-14-7-4-9/h3,5,8,10,14H,1-2,4,6-7H2,(H,16,18).
What are the key properties of N-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide?
N-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 58296114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).