6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine

C18H15Cl2FN6 — CID 166538761

IUPAC6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)ccc(Cl)c1Cl
InChIInChI=1S/C18H15Cl2FN6/c19-10-1-2-11(15(21)14(10)20)25-17-16-12(22-9-23-17)3-4-13(26-16)27-7-18(8-27)5-6-24-18/h1-4,9,24H,5-8H2,(H,22,23,25)
InChIKeyQYSVFPKMAMFGBX-UHFFFAOYSA-N
MW405.26 g/mol
LogP3.77
Rot. Bonds3

About 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine

6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166538761) has the molecular formula C18H15Cl2FN6 and a molecular weight of 405.26 g/mol. Its IUPAC name is 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID166538761
Molecular FormulaC18H15Cl2FN6
Molecular Weight405.26 g/mol
Exact Mass404.07
IUPAC Name6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)ccc(Cl)c1Cl
InChIInChI=1S/C18H15Cl2FN6/c19-10-1-2-11(15(21)14(10)20)25-17-16-12(22-9-23-17)3-4-13(26-16)27-7-18(8-27)5-6-24-18/h1-4,9,24H,5-8H2,(H,22,23,25)
InChIKeyQYSVFPKMAMFGBX-UHFFFAOYSA-N
XLogP3.77
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine (CID 166538761) is 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine is Fc1c(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)ccc(Cl)c1Cl.
What is the InChIKey of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is QYSVFPKMAMFGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN6/c19-10-1-2-11(15(21)14(10)20)25-17-16-12(22-9-23-17)3-4-13(26-16)27-7-18(8-27)5-6-24-18/h1-4,9,24H,5-8H2,(H,22,23,25).
What are the key properties of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 405.26 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166538761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).