(4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C19H30N6O2 — CID 70767329

IUPAC(4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCNCCN1C(=O)CC[C@H]2CN(C(=O)Cc3c(C)nc(N)nc3C)CC[C@H]21
InChIInChI=1S/C19H30N6O2/c1-12-15(13(2)23-19(20)22-12)10-18(27)24-8-6-16-14(11-24)4-5-17(26)25(16)9-7-21-3/h14,16,21H,4-11H2,1-3H3,(H2,20,22,23)/t14-,16+/m0/s1
InChIKeyLCFGRIVOXZRDNO-GOEBONIOSA-N
MW374.49 g/mol
LogP0.28
Rot. Bonds5

About (4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

(4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 70767329) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is (4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name(4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID70767329
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name(4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCNCCN1C(=O)CC[C@H]2CN(C(=O)Cc3c(C)nc(N)nc3C)CC[C@H]21
InChIInChI=1S/C19H30N6O2/c1-12-15(13(2)23-19(20)22-12)10-18(27)24-8-6-16-14(11-24)4-5-17(26)25(16)9-7-21-3/h14,16,21H,4-11H2,1-3H3,(H2,20,22,23)/t14-,16+/m0/s1
InChIKeyLCFGRIVOXZRDNO-GOEBONIOSA-N
XLogP0.28
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of (4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 70767329) is (4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for (4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for (4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is CNCCN1C(=O)CC[C@H]2CN(C(=O)Cc3c(C)nc(N)nc3C)CC[C@H]21.
What is the InChIKey of (4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is LCFGRIVOXZRDNO-GOEBONIOSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-12-15(13(2)23-19(20)22-12)10-18(27)24-8-6-16-14(11-24)4-5-17(26)25(16)9-7-21-3/h14,16,21H,4-11H2,1-3H3,(H2,20,22,23)/t14-,16+/m0/s1.
What are the key properties of (4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
(4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 374.49 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-6-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 70767329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).