N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide

C11H18N4O — CID 102922881

IUPACN-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide
SMILESCCCCN(CCN)C(=O)c1cncnc1
InChIInChI=1S/C11H18N4O/c1-2-3-5-15(6-4-12)11(16)10-7-13-9-14-8-10/h7-9H,2-6,12H2,1H3
InChIKeyIEHDYRYEDYFKRA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.68
Rot. Bonds6

About N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide

N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide (PubChem CID 102922881) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide
PubChem CID102922881
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide
SMILESCCCCN(CCN)C(=O)c1cncnc1
InChIInChI=1S/C11H18N4O/c1-2-3-5-15(6-4-12)11(16)10-7-13-9-14-8-10/h7-9H,2-6,12H2,1H3
InChIKeyIEHDYRYEDYFKRA-UHFFFAOYSA-N
XLogP0.68
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide (CID 102922881) is N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide is CCCCN(CCN)C(=O)c1cncnc1.
What is the InChIKey of N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide?
The InChIKey is IEHDYRYEDYFKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-3-5-15(6-4-12)11(16)10-7-13-9-14-8-10/h7-9H,2-6,12H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide?
N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide is sourced from PubChem (CID 102922881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).