2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide

C11H22N4O — CID 119113118

IUPAC2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCNC1=NCCCN1
InChIInChI=1S/C11H22N4O/c1-11(2,3)9(16)12-7-8-15-10-13-5-4-6-14-10/h4-8H2,1-3H3,(H,12,16)(H2,13,14,15)
InChIKeyBEMVFCMIRHYEIV-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.09
Rot. Bonds3

About 2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide

2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide (PubChem CID 119113118) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide
PubChem CID119113118
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCNC1=NCCCN1
InChIInChI=1S/C11H22N4O/c1-11(2,3)9(16)12-7-8-15-10-13-5-4-6-14-10/h4-8H2,1-3H3,(H,12,16)(H2,13,14,15)
InChIKeyBEMVFCMIRHYEIV-UHFFFAOYSA-N
XLogP0.09
TPSA65.52 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 ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide (CID 119113118) is 2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide is CC(C)(C)C(=O)NCCNC1=NCCCN1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide?
The InChIKey is BEMVFCMIRHYEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-11(2,3)9(16)12-7-8-15-10-13-5-4-6-14-10/h4-8H2,1-3H3,(H,12,16)(H2,13,14,15).
What are the key properties of 2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide?
2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 119113118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).