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

C18H15Cl2FN4O2 — CID 166539594

IUPAC6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3ccc(Cl)nc23)ccc(OCC2CCOC2)c1Cl
InChIInChI=1S/C18H15Cl2FN4O2/c19-14-4-2-12-17(25-14)18(23-9-22-12)24-11-1-3-13(15(20)16(11)21)27-8-10-5-6-26-7-10/h1-4,9-10H,5-8H2,(H,22,23,24)
InChIKeyLZRMHJUAKNPWEG-UHFFFAOYSA-N
MW409.25 g/mol
LogP4.63
Rot. Bonds5

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

6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166539594) has the molecular formula C18H15Cl2FN4O2 and a molecular weight of 409.25 g/mol. Its IUPAC name is 6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID166539594
Molecular FormulaC18H15Cl2FN4O2
Molecular Weight409.25 g/mol
Exact Mass408.06
IUPAC Name6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3ccc(Cl)nc23)ccc(OCC2CCOC2)c1Cl
InChIInChI=1S/C18H15Cl2FN4O2/c19-14-4-2-12-17(25-14)18(23-9-22-12)24-11-1-3-13(15(20)16(11)21)27-8-10-5-6-26-7-10/h1-4,9-10H,5-8H2,(H,22,23,24)
InChIKeyLZRMHJUAKNPWEG-UHFFFAOYSA-N
XLogP4.63
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.25
LogP ≤ 54.63
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-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540318
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
6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540295
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
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
6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile
CID 175823314
1-[(3S)-3-[4-[2,3-difluoro-4-[[(3R)-oxolan-3-yl]methoxy]anilino]pyrido[3,2-d]pyrimidin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 166538393
N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine
CID 166539429
N-[4-(3-chloro-2,4-difluoroanilino)-7-[[(3R)-oxolan-3-yl]methoxy]quinazolin-6-yl]-2-fluoroprop-2-enamide
CID 90282530
6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 24958396
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
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 166539594) is 6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine is Fc1c(Nc2ncnc3ccc(Cl)nc23)ccc(OCC2CCOC2)c1Cl.
What is the InChIKey of 6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is LZRMHJUAKNPWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN4O2/c19-14-4-2-12-17(25-14)18(23-9-22-12)24-11-1-3-13(15(20)16(11)21)27-8-10-5-6-26-7-10/h1-4,9-10H,5-8H2,(H,22,23,24).
What are the key properties of 6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 409.25 g/mol, XLogP of 4.63, 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-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166539594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).