2-(propan-2-ylamino)pyrimidine-5-carboxamide

C8H12N4O — CID 19698814

IUPAC2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(N)=O)cn1
InChIInChI=1S/C8H12N4O/c1-5(2)12-8-10-3-6(4-11-8)7(9)13/h3-5H,1-2H3,(H2,9,13)(H,10,11,12)
InChIKeyNGLNBDSFLITWGS-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.40
Rot. Bonds3

About 2-(propan-2-ylamino)pyrimidine-5-carboxamide

2-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 19698814) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID19698814
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(N)=O)cn1
InChIInChI=1S/C8H12N4O/c1-5(2)12-8-10-3-6(4-11-8)7(9)13/h3-5H,1-2H3,(H2,9,13)(H,10,11,12)
InChIKeyNGLNBDSFLITWGS-UHFFFAOYSA-N
XLogP0.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 19698814) is 2-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(propan-2-ylamino)pyrimidine-5-carboxamide is CC(C)Nc1ncc(C(N)=O)cn1.
What is the InChIKey of 2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is NGLNBDSFLITWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5(2)12-8-10-3-6(4-11-8)7(9)13/h3-5H,1-2H3,(H2,9,13)(H,10,11,12).
What are the key properties of 2-(propan-2-ylamino)pyrimidine-5-carboxamide?
2-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 19698814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).