6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine

C15H23ClN4 — CID 81199970

IUPAC6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCc1cc(Cl)nc(CN2CCC3C(CCCN3C)C2)n1
InChIInChI=1S/C15H23ClN4/c1-11-8-14(16)18-15(17-11)10-20-7-5-13-12(9-20)4-3-6-19(13)2/h8,12-13H,3-7,9-10H2,1-2H3
InChIKeyBADLTDIQDDFSRQ-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.35
Rot. Bonds2

About 6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine

6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (PubChem CID 81199970) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.

Molecular Properties

Compound Name6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
PubChem CID81199970
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCc1cc(Cl)nc(CN2CCC3C(CCCN3C)C2)n1
InChIInChI=1S/C15H23ClN4/c1-11-8-14(16)18-15(17-11)10-20-7-5-13-12(9-20)4-3-6-19(13)2/h8,12-13H,3-7,9-10H2,1-2H3
InChIKeyBADLTDIQDDFSRQ-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine
CID 80663771
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 80663533
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine
CID 81460276
4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine
CID 80663756
4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine
CID 164662191
4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine
CID 80664820
6-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199802
N-methyl-1-[4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 81194985
4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine
CID 80663694
methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
CID 80663871
(4aR,8aR)-6-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 97153651
[3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 114478897

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The IUPAC name of 6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (CID 81199970) is 6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.
What is the SMILES notation for 6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The canonical SMILES for 6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is Cc1cc(Cl)nc(CN2CCC3C(CCCN3C)C2)n1.
What is the InChIKey of 6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The InChIKey is BADLTDIQDDFSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-11-8-14(16)18-15(17-11)10-20-7-5-13-12(9-20)4-3-6-19(13)2/h8,12-13H,3-7,9-10H2,1-2H3.
What are the key properties of 6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine has a molecular weight of 294.83 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is sourced from PubChem (CID 81199970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).