6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine

C14H13ClF2N4O — CID 133435463

IUPAC6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NC2CCOC2c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H13ClF2N4O/c15-11-6-12(21-14(18)20-11)19-10-3-4-22-13(10)7-1-2-8(16)9(17)5-7/h1-2,5-6,10,13H,3-4H2,(H3,18,19,20,21)
InChIKeyAOUDSZKCSXHTOK-UHFFFAOYSA-N
MW326.73 g/mol
LogP2.93
Rot. Bonds3

About 6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine

6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 133435463) has the molecular formula C14H13ClF2N4O and a molecular weight of 326.73 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID133435463
Molecular FormulaC14H13ClF2N4O
Molecular Weight326.73 g/mol
Exact Mass326.07
IUPAC Name6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NC2CCOC2c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H13ClF2N4O/c15-11-6-12(21-14(18)20-11)19-10-3-4-22-13(10)7-1-2-8(16)9(17)5-7/h1-2,5-6,10,13H,3-4H2,(H3,18,19,20,21)
InChIKeyAOUDSZKCSXHTOK-UHFFFAOYSA-N
XLogP2.93
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine 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

4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133435270
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133435266
2-(3,4-difluorophenyl)oxolan-3-amine
CID 71683254
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133435434
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133435345
6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine
CID 133353479
3-N-[(2R,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-4-nitrobenzene-1,3-diamine
CID 124626280
cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 52840167
5-bromo-2-N-[(2R,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-4-N-methylpyrimidine-2,4-diamine
CID 99635271
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine
CID 133435198
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133435457

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine (CID 133435463) is 6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NC2CCOC2c2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is AOUDSZKCSXHTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N4O/c15-11-6-12(21-14(18)20-11)19-10-3-4-22-13(10)7-1-2-8(16)9(17)5-7/h1-2,5-6,10,13H,3-4H2,(H3,18,19,20,21).
What are the key properties of 6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine?
6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 326.73 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 133435463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).