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

C18H16F2N6 — CID 166538759

IUPAC6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)c1F
InChIInChI=1S/C18H16F2N6/c19-11-2-1-3-12(15(11)20)24-17-16-13(21-10-22-17)4-5-14(25-16)26-8-18(9-26)6-7-23-18/h1-5,10,23H,6-9H2,(H,21,22,24)
InChIKeyDKOZYPCYDHPFOQ-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.60
Rot. Bonds3

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

6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166538759) has the molecular formula C18H16F2N6 and a molecular weight of 354.36 g/mol. Its IUPAC name is 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID166538759
Molecular FormulaC18H16F2N6
Molecular Weight354.36 g/mol
Exact Mass354.14
IUPAC Name6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)c1F
InChIInChI=1S/C18H16F2N6/c19-11-2-1-3-12(15(11)20)24-17-16-13(21-10-22-17)4-5-14(25-16)26-8-18(9-26)6-7-23-18/h1-5,10,23H,6-9H2,(H,21,22,24)
InChIKeyDKOZYPCYDHPFOQ-UHFFFAOYSA-N
XLogP2.60
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine (CID 166538759) is 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine is Fc1cccc(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)c1F.
What is the InChIKey of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is DKOZYPCYDHPFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6/c19-11-2-1-3-12(15(11)20)24-17-16-13(21-10-22-17)4-5-14(25-16)26-8-18(9-26)6-7-23-18/h1-5,10,23H,6-9H2,(H,21,22,24).
What are the key properties of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 354.36 g/mol, XLogP of 2.60, 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-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166538759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).