4-chloro-5-(difluoromethoxy)pyrimidin-2-amine

C5H4ClF2N3O — CID 139615026

IUPAC4-chloro-5-(difluoromethoxy)pyrimidin-2-amine
SMILESNc1ncc(OC(F)F)c(Cl)n1
InChIInChI=1S/C5H4ClF2N3O/c6-3-2(12-4(7)8)1-10-5(9)11-3/h1,4H,(H2,9,10,11)
InChIKeySPIFMIDGJHTTJE-UHFFFAOYSA-N
MW195.56 g/mol
LogP1.31
Rot. Bonds2

About 4-chloro-5-(difluoromethoxy)pyrimidin-2-amine

4-chloro-5-(difluoromethoxy)pyrimidin-2-amine (PubChem CID 139615026) has the molecular formula C5H4ClF2N3O and a molecular weight of 195.56 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-(difluoromethoxy)pyrimidin-2-amine
PubChem CID139615026
Molecular FormulaC5H4ClF2N3O
Molecular Weight195.56 g/mol
Exact Mass195.00
IUPAC Name4-chloro-5-(difluoromethoxy)pyrimidin-2-amine
SMILESNc1ncc(OC(F)F)c(Cl)n1
InChIInChI=1S/C5H4ClF2N3O/c6-3-2(12-4(7)8)1-10-5(9)11-3/h1,4H,(H2,9,10,11)
InChIKeySPIFMIDGJHTTJE-UHFFFAOYSA-N
XLogP1.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.56
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-(difluoromethoxy)pyrimidin-2-amine 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

5-(difluoromethoxy)pyrimidin-2-amine
CID 139417201
1-chloro-4-(difluoromethoxy)isoquinoline
CID 150576638
2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde
CID 131167977
4-chloro-5-(difluoromethoxy)pyridine-2-carbaldehyde
CID 130970189
2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid
CID 175491653
4-chloro-5-ethylpyrimidin-2-amine
CID 24903854
6,7-dichloroquinazolin-2-amine
CID 611660
2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid
CID 119004607
5-chloro-4-propan-2-yloxypyrimidin-2-amine
CID 80859950
tert-butyl N-[2-chloro-5-(difluoromethoxy)pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 169119389
1-[2-amino-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131333493
4-(difluoromethoxy)-6-methylpyridine-3-carboxamide
CID 174869415

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-5-(difluoromethoxy)pyrimidin-2-amine (CID 139615026) is 4-chloro-5-(difluoromethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-(difluoromethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-(difluoromethoxy)pyrimidin-2-amine is Nc1ncc(OC(F)F)c(Cl)n1.
What is the InChIKey of 4-chloro-5-(difluoromethoxy)pyrimidin-2-amine?
The InChIKey is SPIFMIDGJHTTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2N3O/c6-3-2(12-4(7)8)1-10-5(9)11-3/h1,4H,(H2,9,10,11).
What are the key properties of 4-chloro-5-(difluoromethoxy)pyrimidin-2-amine?
4-chloro-5-(difluoromethoxy)pyrimidin-2-amine has a molecular weight of 195.56 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethoxy)pyrimidin-2-amine is sourced from PubChem (CID 139615026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).