4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide

C13H15N5O — CID 83567425

IUPAC4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(-c2ccccn2)nc1N
InChIInChI=1S/C13H15N5O/c1-8(2)17-13(19)9-7-16-12(18-11(9)14)10-5-3-4-6-15-10/h3-8H,1-2H3,(H,17,19)(H2,14,16,18)
InChIKeyOYSPGKNUUMZCCY-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.26
Rot. Bonds3

About 4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide

4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 83567425) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID83567425
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(-c2ccccn2)nc1N
InChIInChI=1S/C13H15N5O/c1-8(2)17-13(19)9-7-16-12(18-11(9)14)10-5-3-4-6-15-10/h3-8H,1-2H3,(H,17,19)(H2,14,16,18)
InChIKeyOYSPGKNUUMZCCY-UHFFFAOYSA-N
XLogP1.26
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 83567425) is 4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(-c2ccccn2)nc1N.
What is the InChIKey of 4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is OYSPGKNUUMZCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8(2)17-13(19)9-7-16-12(18-11(9)14)10-5-3-4-6-15-10/h3-8H,1-2H3,(H,17,19)(H2,14,16,18).
What are the key properties of 4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide?
4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).