N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide

C17H18N4O — CID 173309503

IUPACN-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide
SMILESO=C(Nc1ccccc1)c1cccc(NC2=NCCCN2)c1
InChIInChI=1S/C17H18N4O/c22-16(20-14-7-2-1-3-8-14)13-6-4-9-15(12-13)21-17-18-10-5-11-19-17/h1-4,6-9,12H,5,10-11H2,(H,20,22)(H2,18,19,21)
InChIKeyHDVHIDRTIIGEQS-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.70
Rot. Bonds3

About N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide

N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide (PubChem CID 173309503) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide
PubChem CID173309503
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide
SMILESO=C(Nc1ccccc1)c1cccc(NC2=NCCCN2)c1
InChIInChI=1S/C17H18N4O/c22-16(20-14-7-2-1-3-8-14)13-6-4-9-15(12-13)21-17-18-10-5-11-19-17/h1-4,6-9,12H,5,10-11H2,(H,20,22)(H2,18,19,21)
InChIKeyHDVHIDRTIIGEQS-UHFFFAOYSA-N
XLogP2.70
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,3-dicarboxamide;dihydrochloride
CID 131880352
3-[2-methoxy-4-[[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]amino]phenyl]prop-2-enoic acid
CID 54407067
3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82240480
2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid
CID 21306708
(3S)-3-[4-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfinyl-3-phenylpropanoic acid
CID 69094034
3-(1,4,5,6-tetrahydropyrimidine-2-carbonylamino)benzoic acid
CID 91902040
N-[3-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butoxy]phenyl]benzamide
CID 173318243
(E)-3-[4-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]-3,5-dimethylphenyl]prop-2-enoic acid
CID 22098946
3-(3-chlorophenyl)-3-[[2-[[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]amino]acetyl]amino]propanoic acid
CID 22608360
3-bromo-2-(3-chlorophenyl)-3-[[2-[[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]amino]acetyl]amino]propanoic acid
CID 174434893
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 44531712
4-[3-(4-methylpiperazine-1-carbonyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 162348635

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide?
The IUPAC name of N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide (CID 173309503) is N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide is O=C(Nc1ccccc1)c1cccc(NC2=NCCCN2)c1.
What is the InChIKey of N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide?
The InChIKey is HDVHIDRTIIGEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-16(20-14-7-2-1-3-8-14)13-6-4-9-15(12-13)21-17-18-10-5-11-19-17/h1-4,6-9,12H,5,10-11H2,(H,20,22)(H2,18,19,21).
What are the key properties of N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide?
N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide has a molecular weight of 294.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 173309503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).