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

C16H23ClN4 — CID 133421150

IUPAC1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCN1CCC2C(CCCN2c2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C16H23ClN4/c1-20-8-6-13-12(10-20)3-2-7-21(13)15-9-14(17)18-16(19-15)11-4-5-11/h9,11-13H,2-8,10H2,1H3
InChIKeyKCLMBDLCIYWXQL-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.93
Rot. Bonds2

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

1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (PubChem CID 133421150) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.

Molecular Properties

Compound Name1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
PubChem CID133421150
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCN1CCC2C(CCCN2c2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C16H23ClN4/c1-20-8-6-13-12(10-20)3-2-7-21(13)15-9-14(17)18-16(19-15)11-4-5-11/h9,11-13H,2-8,10H2,1H3
InChIKeyKCLMBDLCIYWXQL-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine with MolForge

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Related Compounds

4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine
CID 133388381
[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80954082
4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 129380887
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine
CID 102729187
(4aR,8aR)-1-(2-tert-butyl-6-chloropyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727530
4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
(4aR,8aR)-1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727533
2-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyridin-4-amine
CID 104918926
(3aR)-1-(2-cyclopropylpyrimidin-5-yl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 170208337
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
CID 80949359
2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80948989
4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine
CID 124850877

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The IUPAC name of 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (CID 133421150) is 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.
What is the SMILES notation for 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The canonical SMILES for 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is CN1CCC2C(CCCN2c2cc(Cl)nc(C3CC3)n2)C1.
What is the InChIKey of 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The InChIKey is KCLMBDLCIYWXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-20-8-6-13-12(10-20)3-2-7-21(13)15-9-14(17)18-16(19-15)11-4-5-11/h9,11-13H,2-8,10H2,1H3.
What are the key properties of 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine has a molecular weight of 306.84 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is sourced from PubChem (CID 133421150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).