N-cyclopropyl-4-methylpyrimidine-5-carboxamide

C9H11N3O — CID 110848001

IUPACN-cyclopropyl-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NC1CC1
InChIInChI=1S/C9H11N3O/c1-6-8(4-10-5-11-6)9(13)12-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,12,13)
InChIKeyIGBKWYYWZHUUHL-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.68
Rot. Bonds2

About N-cyclopropyl-4-methylpyrimidine-5-carboxamide

N-cyclopropyl-4-methylpyrimidine-5-carboxamide (PubChem CID 110848001) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-cyclopropyl-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methylpyrimidine-5-carboxamide
PubChem CID110848001
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-cyclopropyl-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NC1CC1
InChIInChI=1S/C9H11N3O/c1-6-8(4-10-5-11-6)9(13)12-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,12,13)
InChIKeyIGBKWYYWZHUUHL-UHFFFAOYSA-N
XLogP0.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-methylpyrimidine-5-carboxamide (CID 110848001) is N-cyclopropyl-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-methylpyrimidine-5-carboxamide is Cc1ncncc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-methylpyrimidine-5-carboxamide?
The InChIKey is IGBKWYYWZHUUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-8(4-10-5-11-6)9(13)12-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,12,13).
What are the key properties of N-cyclopropyl-4-methylpyrimidine-5-carboxamide?
N-cyclopropyl-4-methylpyrimidine-5-carboxamide has a molecular weight of 177.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110848001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).