N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

C15H13F3N4O — CID 137351930

IUPACN-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCn1ccc2ncnc(Nc3ccc(F)cc3OCC(F)F)c21
InChIInChI=1S/C15H13F3N4O/c1-22-5-4-11-14(22)15(20-8-19-11)21-10-3-2-9(16)6-12(10)23-7-13(17)18/h2-6,8,13H,7H2,1H3,(H,19,20,21)
InChIKeyPEOBAUDHVQMGCD-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.49
Rot. Bonds5

About N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 137351930) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID137351930
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC NameN-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCn1ccc2ncnc(Nc3ccc(F)cc3OCC(F)F)c21
InChIInChI=1S/C15H13F3N4O/c1-22-5-4-11-14(22)15(20-8-19-11)21-10-3-2-9(16)6-12(10)23-7-13(17)18/h2-6,8,13H,7H2,1H3,(H,19,20,21)
InChIKeyPEOBAUDHVQMGCD-UHFFFAOYSA-N
XLogP3.49
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-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

N-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyphenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 137351770
N-(4-fluoro-2-propan-2-yloxyphenyl)-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 137351485
N-(4-chloro-2-propan-2-yloxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 135334218
4-[2-(2,2-difluoroethoxy)-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 91808099
5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 163563267
N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 71188369
5-(dimethylamino)-1-[4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylpyrrolo[3,2-d]pyrimidin-6-yl]pentan-1-one
CID 158645095
2-[4-[2-chloro-3-[(3-fluorophenyl)methoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethanol
CID 90004837
4-(4-fluoro-2-propan-2-yloxyanilino)-5-methyl-N-(2-piperazin-1-ylethyl)pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 137352519
N-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 166395190
N-[3-chloro-4-[3-(trifluoromethoxy)phenoxy]phenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
CID 56849561
4-N-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluorophenyl]-5-methylquinazoline-4,7-diamine
CID 134269464

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (CID 137351930) is N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is Cn1ccc2ncnc(Nc3ccc(F)cc3OCC(F)F)c21.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is PEOBAUDHVQMGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-22-5-4-11-14(22)15(20-8-19-11)21-10-3-2-9(16)6-12(10)23-7-13(17)18/h2-6,8,13H,7H2,1H3,(H,19,20,21).
What are the key properties of N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 322.29 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 137351930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).