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

C17H14Cl2N4O2 — CID 166540295

IUPAC6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1ccc2ncnc(Nc3ccc(OCC4COC4)c(Cl)c3)c2n1
InChIInChI=1S/C17H14Cl2N4O2/c18-12-5-11(1-3-14(12)25-8-10-6-24-7-10)22-17-16-13(20-9-21-17)2-4-15(19)23-16/h1-5,9-10H,6-8H2,(H,20,21,22)
InChIKeyKGWIPXPBJBRBJB-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.10
Rot. Bonds5

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

6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166540295) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is 6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID166540295
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC Name6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1ccc2ncnc(Nc3ccc(OCC4COC4)c(Cl)c3)c2n1
InChIInChI=1S/C17H14Cl2N4O2/c18-12-5-11(1-3-14(12)25-8-10-6-24-7-10)22-17-16-13(20-9-21-17)2-4-15(19)23-16/h1-5,9-10H,6-8H2,(H,20,21,22)
InChIKeyKGWIPXPBJBRBJB-UHFFFAOYSA-N
XLogP4.10
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.10
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
6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine
CID 166539469
6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539594
1-[6-[4-[3-chloro-4-(oxolan-3-ylmethoxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-1,6-diazaspiro[3.3]heptan-1-yl]prop-2-en-1-one
CID 166540108
6-chloro-N-(1H-pyrrol-3-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 154196913
4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 67600221
6-chloro-N-(5-fluoro-3-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166539944
tert-butyl N-[1-[4-(3,4-dichloroanilino)pyrido[3,2-d]pyrimidin-6-yl]azetidin-3-yl]carbamate
CID 166539836
N-[3-chloro-4-(difluoromethoxy)phenyl]-6-[(1S,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539008
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-4-(pyridin-2-ylmethoxy)phenyl]-5-[[(3R)-pyrrolidin-3-yl]methoxy]quinazolin-4-amine
CID 69028466
1-[4-[[4-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]anilino]quinazolin-5-yl]oxymethyl]piperidin-1-yl]-2-hydroxyethanone
CID 69024245

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 166540295) is 6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine is Clc1ccc2ncnc(Nc3ccc(OCC4COC4)c(Cl)c3)c2n1.
What is the InChIKey of 6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is KGWIPXPBJBRBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c18-12-5-11(1-3-14(12)25-8-10-6-24-7-10)22-17-16-13(20-9-21-17)2-4-15(19)23-16/h1-5,9-10H,6-8H2,(H,20,21,22).
What are the key properties of 6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 377.23 g/mol, XLogP of 4.10, 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-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166540295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).