2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C16H25ClN4 — CID 80970597

IUPAC2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCN2CCCCC2C1
InChIInChI=1S/C16H25ClN4/c1-11(2)15-18-14(17)12(3)16(19-15)21-9-8-20-7-5-4-6-13(20)10-21/h11,13H,4-10H2,1-3H3
InChIKeyXHWLKFBRRIDHLK-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.24
Rot. Bonds2

About 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 80970597) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID80970597
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCc1c(Cl)nc(C(C)C)nc1N1CCN2CCCCC2C1
InChIInChI=1S/C16H25ClN4/c1-11(2)15-18-14(17)12(3)16(19-15)21-9-8-20-7-5-4-6-13(20)10-21/h11,13H,4-10H2,1-3H3
InChIKeyXHWLKFBRRIDHLK-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine
CID 80970489
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856688
2-(6-chloro-4,5-dimethylpyridazin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925334
(9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 95720333
4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 80972003
1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane
CID 80977670
4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine
CID 80970665
4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 95708844
[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969411
2-(4-propan-2-ylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929962
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80928966
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methanamine
CID 79931998

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 80970597) is 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is Cc1c(Cl)nc(C(C)C)nc1N1CCN2CCCCC2C1.
What is the InChIKey of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is XHWLKFBRRIDHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c1-11(2)15-18-14(17)12(3)16(19-15)21-9-8-20-7-5-4-6-13(20)10-21/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 308.86 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 80970597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).