N-butan-2-yl-N-propylpyrimidine-2-carboxamide

C12H19N3O — CID 71221897

IUPACN-butan-2-yl-N-propylpyrimidine-2-carboxamide
SMILESCCCN(C(=O)c1ncccn1)C(C)CC
InChIInChI=1S/C12H19N3O/c1-4-9-15(10(3)5-2)12(16)11-13-7-6-8-14-11/h6-8,10H,4-5,9H2,1-3H3
InChIKeyXNKNBMSANLTGSZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.13
Rot. Bonds5

About N-butan-2-yl-N-propylpyrimidine-2-carboxamide

N-butan-2-yl-N-propylpyrimidine-2-carboxamide (PubChem CID 71221897) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-butan-2-yl-N-propylpyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-propylpyrimidine-2-carboxamide
PubChem CID71221897
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-butan-2-yl-N-propylpyrimidine-2-carboxamide
SMILESCCCN(C(=O)c1ncccn1)C(C)CC
InChIInChI=1S/C12H19N3O/c1-4-9-15(10(3)5-2)12(16)11-13-7-6-8-14-11/h6-8,10H,4-5,9H2,1-3H3
InChIKeyXNKNBMSANLTGSZ-UHFFFAOYSA-N
XLogP2.13
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-propylpyrimidine-2-carboxamide?
The IUPAC name of N-butan-2-yl-N-propylpyrimidine-2-carboxamide (CID 71221897) is N-butan-2-yl-N-propylpyrimidine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-propylpyrimidine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-N-propylpyrimidine-2-carboxamide is CCCN(C(=O)c1ncccn1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-propylpyrimidine-2-carboxamide?
The InChIKey is XNKNBMSANLTGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-9-15(10(3)5-2)12(16)11-13-7-6-8-14-11/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of N-butan-2-yl-N-propylpyrimidine-2-carboxamide?
N-butan-2-yl-N-propylpyrimidine-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-propylpyrimidine-2-carboxamide is sourced from PubChem (CID 71221897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).