[(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

C18H30N4O — CID 135103738

IUPAC[(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
SMILESCCCc1cc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-4-6-15-11-17(20-14(2)19-15)22-10-8-18(13-23)7-5-9-21(3)16(18)12-22/h11,16,23H,4-10,12-13H2,1-3H3/t16-,18-/m1/s1
InChIKeyLVIOAYSGFTYAOB-SJLPKXTDSA-N
MW318.47 g/mol
LogP2.02
Rot. Bonds4

About [(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

[(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol (PubChem CID 135103738) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is [(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol.

Molecular Properties

Compound Name[(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
PubChem CID135103738
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name[(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
SMILESCCCc1cc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-4-6-15-11-17(20-14(2)19-15)22-10-8-18(13-23)7-5-9-21(3)16(18)12-22/h11,16,23H,4-10,12-13H2,1-3H3/t16-,18-/m1/s1
InChIKeyLVIOAYSGFTYAOB-SJLPKXTDSA-N
XLogP2.02
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol?
The IUPAC name of [(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol (CID 135103738) is [(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol.
What is the SMILES notation for [(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol?
The canonical SMILES for [(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol is CCCc1cc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)nc(C)n1.
What is the InChIKey of [(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol?
The InChIKey is LVIOAYSGFTYAOB-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-6-15-11-17(20-14(2)19-15)22-10-8-18(13-23)7-5-9-21(3)16(18)12-22/h11,16,23H,4-10,12-13H2,1-3H3/t16-,18-/m1/s1.
What are the key properties of [(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol?
[(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol has a molecular weight of 318.47 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aS)-1-methyl-7-(2-methyl-6-propylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol is sourced from PubChem (CID 135103738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).