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

C15H25N5 — CID 80950038

IUPAC6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(N2CCN3CCCC3C2)n1
InChIInChI=1S/C15H25N5/c1-3-5-13-17-14(16-2)10-15(18-13)20-9-8-19-7-4-6-12(19)11-20/h10,12H,3-9,11H2,1-2H3,(H,16,17,18)
InChIKeyRGYQUVPUPYTSOZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.76
Rot. Bonds4

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

6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80950038) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80950038
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(N2CCN3CCCC3C2)n1
InChIInChI=1S/C15H25N5/c1-3-5-13-17-14(16-2)10-15(18-13)20-9-8-19-7-4-6-12(19)11-20/h10,12H,3-9,11H2,1-2H3,(H,16,17,18)
InChIKeyRGYQUVPUPYTSOZ-UHFFFAOYSA-N
XLogP1.76
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80944630
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80854581
N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine
CID 80944351
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80836949
2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80933251
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]piperidin-3-ol
CID 80955342
[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80933961
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine
CID 80941631
6-(3,3-dimethylpiperidin-1-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80950675
N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80944664
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 80946979
8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80950597

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine (CID 80950038) is 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(N2CCN3CCCC3C2)n1.
What is the InChIKey of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is RGYQUVPUPYTSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-3-5-13-17-14(16-2)10-15(18-13)20-9-8-19-7-4-6-12(19)11-20/h10,12H,3-9,11H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine?
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80950038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).