4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine

C16H27N5 — CID 80836941

IUPAC4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(N2CCN3CCCCC3C2)n1
InChIInChI=1S/C16H27N5/c1-3-7-17-16-18-13(2)11-15(19-16)21-10-9-20-8-5-4-6-14(20)12-21/h11,14H,3-10,12H2,1-2H3,(H,17,18,19)
InChIKeyGMPRRVCCTPKNOY-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.28
Rot. Bonds4

About 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine (PubChem CID 80836941) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine
PubChem CID80836941
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(N2CCN3CCCCC3C2)n1
InChIInChI=1S/C16H27N5/c1-3-7-17-16-18-13(2)11-15(19-16)21-10-9-20-8-5-4-6-14(20)12-21/h11,14H,3-10,12H2,1-2H3,(H,17,18,19)
InChIKeyGMPRRVCCTPKNOY-UHFFFAOYSA-N
XLogP2.28
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine with MolForge

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Related Compounds

4-methyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056953
4-(3,5-dimethylpiperidin-1-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80766891
4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80792256
4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine
CID 80837570
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80836949
4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80805119
2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862622
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80791554
5-methyl-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810446
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide
CID 114769109
N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79924667
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80950038

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine (CID 80836941) is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(N2CCN3CCCCC3C2)n1.
What is the InChIKey of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine?
The InChIKey is GMPRRVCCTPKNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-3-7-17-16-18-13(2)11-15(19-16)21-10-9-20-8-5-4-6-14(20)12-21/h11,14H,3-10,12H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine?
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine has a molecular weight of 289.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80836941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).