6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine

C17H13Cl2FN4O2 — CID 166540318

IUPAC6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3ccc(Cl)nc23)ccc(OCC2COC2)c1Cl
InChIInChI=1S/C17H13Cl2FN4O2/c18-13-4-2-11-16(24-13)17(22-8-21-11)23-10-1-3-12(14(19)15(10)20)26-7-9-5-25-6-9/h1-4,8-9H,5-7H2,(H,21,22,23)
InChIKeyFETBFZWGMYHONG-UHFFFAOYSA-N
MW395.22 g/mol
LogP4.24
Rot. Bonds5

About 6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine

6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166540318) has the molecular formula C17H13Cl2FN4O2 and a molecular weight of 395.22 g/mol. Its IUPAC name is 6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID166540318
Molecular FormulaC17H13Cl2FN4O2
Molecular Weight395.22 g/mol
Exact Mass394.04
IUPAC Name6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3ccc(Cl)nc23)ccc(OCC2COC2)c1Cl
InChIInChI=1S/C17H13Cl2FN4O2/c18-13-4-2-11-16(24-13)17(22-8-21-11)23-10-1-3-12(14(19)15(10)20)26-7-9-5-25-6-9/h1-4,8-9H,5-7H2,(H,21,22,23)
InChIKeyFETBFZWGMYHONG-UHFFFAOYSA-N
XLogP4.24
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539594
6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540295
1-[(3S)-3-[4-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 156532211
N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine
CID 166539429
N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 166539416
N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-[(4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 175832595
6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile
CID 175823314
4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol
CID 166539277
6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-[3-ethynyl-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539050
1-[(3S)-3-[4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]pyrido[3,2-d]pyrimidin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 156532206
N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 166539446
3-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorobenzonitrile
CID 166540002

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 166540318) is 6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine is Fc1c(Nc2ncnc3ccc(Cl)nc23)ccc(OCC2COC2)c1Cl.
What is the InChIKey of 6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is FETBFZWGMYHONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN4O2/c18-13-4-2-11-16(24-13)17(22-8-21-11)23-10-1-3-12(14(19)15(10)20)26-7-9-5-25-6-9/h1-4,8-9H,5-7H2,(H,21,22,23).
What are the key properties of 6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 395.22 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166540318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).