7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine

C18H16Cl2N6 — CID 155541488

IUPAC7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
SMILESNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N3C[C@@H]4C(N)[C@@H]4C3)nc2n1
InChIInChI=1S/C18H16Cl2N6/c19-12-2-1-3-13(20)14(12)9-4-8-5-23-18(22)25-16(8)24-17(9)26-6-10-11(7-26)15(10)21/h1-5,10-11,15H,6-7,21H2,(H2,22,23,24,25)/t10-,11+,15?
InChIKeyPLMWPEOFSCNRTJ-YWXMQNBFSA-N
MW387.27 g/mol
LogP2.97
Rot. Bonds2

About 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine

7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 155541488) has the molecular formula C18H16Cl2N6 and a molecular weight of 387.27 g/mol. Its IUPAC name is 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
PubChem CID155541488
Molecular FormulaC18H16Cl2N6
Molecular Weight387.27 g/mol
Exact Mass386.08
IUPAC Name7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
SMILESNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N3C[C@@H]4C(N)[C@@H]4C3)nc2n1
InChIInChI=1S/C18H16Cl2N6/c19-12-2-1-3-13(20)14(12)9-4-8-5-23-18(22)25-16(8)24-17(9)26-6-10-11(7-26)15(10)21/h1-5,10-11,15H,6-7,21H2,(H2,22,23,24,25)/t10-,11+,15?
InChIKeyPLMWPEOFSCNRTJ-YWXMQNBFSA-N
XLogP2.97
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine (CID 155541488) is 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine is Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(N3C[C@@H]4C(N)[C@@H]4C3)nc2n1.
What is the InChIKey of 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is PLMWPEOFSCNRTJ-YWXMQNBFSA-N. The full InChI is InChI=1S/C18H16Cl2N6/c19-12-2-1-3-13(20)14(12)9-4-8-5-23-18(22)25-16(8)24-17(9)26-6-10-11(7-26)15(10)21/h1-5,10-11,15H,6-7,21H2,(H2,22,23,24,25)/t10-,11+,15?.
What are the key properties of 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 387.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 155541488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).