N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide

C11H22N4O — CID 23590357

IUPACN-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC1CCN=C(N)N1
InChIInChI=1S/C11H22N4O/c1-11(2,3)9(16)13-6-4-8-5-7-14-10(12)15-8/h8H,4-7H2,1-3H3,(H,13,16)(H3,12,14,15)
InChIKeyZCUQRIQTJYBKKA-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.22
Rot. Bonds3

About N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide

N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 23590357) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID23590357
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC1CCN=C(N)N1
InChIInChI=1S/C11H22N4O/c1-11(2,3)9(16)13-6-4-8-5-7-14-10(12)15-8/h8H,4-7H2,1-3H3,(H,13,16)(H3,12,14,15)
InChIKeyZCUQRIQTJYBKKA-UHFFFAOYSA-N
XLogP0.22
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide (CID 23590357) is N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC1CCN=C(N)N1.
What is the InChIKey of N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is ZCUQRIQTJYBKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-11(2,3)9(16)13-6-4-8-5-7-14-10(12)15-8/h8H,4-7H2,1-3H3,(H,13,16)(H3,12,14,15).
What are the key properties of N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide?
N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 23590357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).