N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide

C21H18N4O3 — CID 112851815

IUPACN-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H18N4O3/c26-21(23-15-8-9-17-18(10-15)28-12-27-17)16-11-19(22-14-6-7-14)25-20(24-16)13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,23,26)(H,22,24,25)
InChIKeyRYZMROSMRAQUQD-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.70
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851815) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112851815
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H18N4O3/c26-21(23-15-8-9-17-18(10-15)28-12-27-17)16-11-19(22-14-6-7-14)25-20(24-16)13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,23,26)(H,22,24,25)
InChIKeyRYZMROSMRAQUQD-UHFFFAOYSA-N
XLogP3.70
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851331
N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851822
6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-2-phenylpyrimidine-4-carboxamide
CID 112854344
N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180197
N-(1,3-benzodioxol-5-yl)-2-[(4-hydroxycyclohexyl)amino]quinoline-4-carboxamide
CID 117089739
4-N-cyclopropyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879556
6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112851824
[6-(1,3-benzodioxol-5-ylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852782
6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112851732
2-N-(1,3-benzodioxol-5-yl)-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 112933059
N-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50828830
6-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851800

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide (CID 112851815) is N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(NC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is RYZMROSMRAQUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-21(23-15-8-9-17-18(10-15)28-12-27-17)16-11-19(22-14-6-7-14)25-20(24-16)13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,23,26)(H,22,24,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).