ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen

C16H19N3O2 — CID 145295764

IUPACethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen
SMILESCCOC(=O)c1cnc(NC2(c3ccccc3)CC2)nc1.[H][H]
InChIInChI=1S/C16H17N3O2.H2/c1-2-21-14(20)12-10-17-15(18-11-12)19-16(8-9-16)13-6-4-3-5-7-13;/h3-7,10-11H,2,8-9H2,1H3,(H,17,18,19);1H
InChIKeyHORWXCYJCSUOGU-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.00
Rot. Bonds5

About ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen

ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen (PubChem CID 145295764) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nameethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen
PubChem CID145295764
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen
SMILESCCOC(=O)c1cnc(NC2(c3ccccc3)CC2)nc1.[H][H]
InChIInChI=1S/C16H17N3O2.H2/c1-2-21-14(20)12-10-17-15(18-11-12)19-16(8-9-16)13-6-4-3-5-7-13;/h3-7,10-11H,2,8-9H2,1H3,(H,17,18,19);1H
InChIKeyHORWXCYJCSUOGU-UHFFFAOYSA-N
XLogP3.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen 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

ethyl 2-[(1-acetyl-4-phenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate
CID 118016639
ethyl 2-[[1-(4-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carboxylate
CID 129033011
ethane;ethyl 2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carboxylate
CID 145295737
ethyl 2-[[1-(4-bromophenyl)cyclobutyl]amino]pyrimidine-5-carboxylate
CID 129032933
ethyl 2-[[1-[(3-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxylate
CID 118016643
ethyl 2-[[1-[2-(1H-indol-3-yl)acetyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxylate
CID 118016596
ethane;ethyl 2-[[1-[(3-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxylate
CID 144829105
ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate
CID 159864160
ethyl 2-[[1-[4-(1-benzoyloxy-3,6-dihydro-2H-pyridin-4-yl)phenyl]cyclobutyl]amino]pyrimidine-5-carboxylate
CID 147620478
ethyl 2-[[1-(1,3-benzodioxol-5-yl)cyclobutyl]amino]pyrimidine-5-carboxylate
CID 129033000
ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate
CID 110453107
ethane;ethyl 2-[[1-(2,3-difluorophenyl)cyclobutyl]amino]pyrimidine-5-carboxylate
CID 145295552

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen?
The IUPAC name of ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen (CID 145295764) is ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen.
What is the SMILES notation for ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen?
The canonical SMILES for ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen is CCOC(=O)c1cnc(NC2(c3ccccc3)CC2)nc1.[H][H].
What is the InChIKey of ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen?
The InChIKey is HORWXCYJCSUOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2.H2/c1-2-21-14(20)12-10-17-15(18-11-12)19-16(8-9-16)13-6-4-3-5-7-13;/h3-7,10-11H,2,8-9H2,1H3,(H,17,18,19);1H.
What are the key properties of ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen?
ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen has a molecular weight of 285.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen is sourced from PubChem (CID 145295764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).