4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide

C9H12N4O — CID 116647952

IUPAC4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide
SMILESCC1(c2ncc(C(N)=O)c(N)n2)CC1
InChIInChI=1S/C9H12N4O/c1-9(2-3-9)8-12-4-5(7(11)14)6(10)13-8/h4H,2-3H2,1H3,(H2,11,14)(H2,10,12,13)
InChIKeyWIUJUBGHTZRLMY-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.21
Rot. Bonds2

About 4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide

4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide (PubChem CID 116647952) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide
PubChem CID116647952
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide
SMILESCC1(c2ncc(C(N)=O)c(N)n2)CC1
InChIInChI=1S/C9H12N4O/c1-9(2-3-9)8-12-4-5(7(11)14)6(10)13-8/h4H,2-3H2,1H3,(H2,11,14)(H2,10,12,13)
InChIKeyWIUJUBGHTZRLMY-UHFFFAOYSA-N
XLogP0.21
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide (CID 116647952) is 4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide is CC1(c2ncc(C(N)=O)c(N)n2)CC1.
What is the InChIKey of 4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide?
The InChIKey is WIUJUBGHTZRLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-9(2-3-9)8-12-4-5(7(11)14)6(10)13-8/h4H,2-3H2,1H3,(H2,11,14)(H2,10,12,13).
What are the key properties of 4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide?
4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methylcyclopropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 116647952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).