4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine

C15H21N7 — CID 166266865

IUPAC4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine
SMILESNc1nc(N2CC[C@@H]3NCCC[C@@H]3C2)cc(-n2cccn2)n1
InChIInChI=1S/C15H21N7/c16-15-19-13(9-14(20-15)22-7-2-6-18-22)21-8-4-12-11(10-21)3-1-5-17-12/h2,6-7,9,11-12,17H,1,3-5,8,10H2,(H2,16,19,20)/t11-,12+/m1/s1
InChIKeyGXUIIGDWMOGCPV-NEPJUHHUSA-N
MW299.38 g/mol
LogP0.82
Rot. Bonds2

About 4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine

4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine (PubChem CID 166266865) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine
PubChem CID166266865
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine
SMILESNc1nc(N2CC[C@@H]3NCCC[C@@H]3C2)cc(-n2cccn2)n1
InChIInChI=1S/C15H21N7/c16-15-19-13(9-14(20-15)22-7-2-6-18-22)21-8-4-12-11(10-21)3-1-5-17-12/h2,6-7,9,11-12,17H,1,3-5,8,10H2,(H2,16,19,20)/t11-,12+/m1/s1
InChIKeyGXUIIGDWMOGCPV-NEPJUHHUSA-N
XLogP0.82
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine?
The IUPAC name of 4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine (CID 166266865) is 4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine is Nc1nc(N2CC[C@@H]3NCCC[C@@H]3C2)cc(-n2cccn2)n1.
What is the InChIKey of 4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine?
The InChIKey is GXUIIGDWMOGCPV-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21N7/c16-15-19-13(9-14(20-15)22-7-2-6-18-22)21-8-4-12-11(10-21)3-1-5-17-12/h2,6-7,9,11-12,17H,1,3-5,8,10H2,(H2,16,19,20)/t11-,12+/m1/s1.
What are the key properties of 4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine?
4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine has a molecular weight of 299.38 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-6-pyrazol-1-ylpyrimidin-2-amine is sourced from PubChem (CID 166266865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).