propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate

C14H13Cl2N3O2 — CID 3852548

IUPACpropan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate
SMILESCC(C)OC(=O)Nc1c(Cl)nc(-c2ccccc2)nc1Cl
InChIInChI=1S/C14H13Cl2N3O2/c1-8(2)21-14(20)17-10-11(15)18-13(19-12(10)16)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,20)
InChIKeyZRXCQKFAQXHKDT-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.41
Rot. Bonds3

About propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate

propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate (PubChem CID 3852548) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate
PubChem CID3852548
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Namepropan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate
SMILESCC(C)OC(=O)Nc1c(Cl)nc(-c2ccccc2)nc1Cl
InChIInChI=1S/C14H13Cl2N3O2/c1-8(2)21-14(20)17-10-11(15)18-13(19-12(10)16)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,20)
InChIKeyZRXCQKFAQXHKDT-UHFFFAOYSA-N
XLogP4.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate 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-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide
CID 86260174
N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide
CID 2097930
6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate
CID 21455185
propan-2-yl N-(2-phenyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate
CID 22754803
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637
propan-2-yl N-(3-chloro-1,4-dioxonaphthalen-2-yl)carbamate
CID 15889934
propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 131748063
propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate
CID 154705773
propan-2-yl N-(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)carbamate
CID 116656414
propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 139904871
propan-2-yl N-(4-bromo-2,3-dichlorophenyl)carbamate
CID 107788701

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate?
The IUPAC name of propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate (CID 3852548) is propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate?
The canonical SMILES for propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate is CC(C)OC(=O)Nc1c(Cl)nc(-c2ccccc2)nc1Cl.
What is the InChIKey of propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate?
The InChIKey is ZRXCQKFAQXHKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-8(2)21-14(20)17-10-11(15)18-13(19-12(10)16)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,20).
What are the key properties of propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate?
propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate has a molecular weight of 326.18 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate is sourced from PubChem (CID 3852548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).