N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide

C13H18N4O — CID 131224552

IUPACN-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide
SMILESO=C(CNC1=NCCCN1)NCc1ccccc1
InChIInChI=1S/C13H18N4O/c18-12(10-17-13-14-7-4-8-15-13)16-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,16,18)(H2,14,15,17)
InChIKeyRDQFQTBDYTZPGL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.24
Rot. Bonds4

About N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide

N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide (PubChem CID 131224552) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide
PubChem CID131224552
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide
SMILESO=C(CNC1=NCCCN1)NCc1ccccc1
InChIInChI=1S/C13H18N4O/c18-12(10-17-13-14-7-4-8-15-13)16-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,16,18)(H2,14,15,17)
InChIKeyRDQFQTBDYTZPGL-UHFFFAOYSA-N
XLogP0.24
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 126766928
2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide
CID 110918218
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915521
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111912600
N-benzyl-2-hydrazinylacetamide
CID 15514349
N-[2-(benzenesulfonyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112973
N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915371
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide
CID 110917546

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide?
The IUPAC name of N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide (CID 131224552) is N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide.
What is the SMILES notation for N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide?
The canonical SMILES for N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide is O=C(CNC1=NCCCN1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide?
The InChIKey is RDQFQTBDYTZPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-12(10-17-13-14-7-4-8-15-13)16-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,16,18)(H2,14,15,17).
What are the key properties of N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide?
N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide has a molecular weight of 246.31 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide is sourced from PubChem (CID 131224552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).