6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine

C14H23N5 — CID 80854935

IUPAC6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCN3CCCC3C2)c1C
InChIInChI=1S/C14H23N5/c1-3-15-13-11(2)14(17-10-16-13)19-8-7-18-6-4-5-12(18)9-19/h10,12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyDXGZMVBGTWHGNH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.50
Rot. Bonds3

About 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine

6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80854935) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80854935
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCN3CCCC3C2)c1C
InChIInChI=1S/C14H23N5/c1-3-15-13-11(2)14(17-10-16-13)19-8-7-18-6-4-5-12(18)9-19/h10,12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyDXGZMVBGTWHGNH-UHFFFAOYSA-N
XLogP1.50
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine
CID 80837228
5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80810445
1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971284
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80855287
[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80904341
N-ethyl-6-(2-ethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80788166
N-ethyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80793772
N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80636109
N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326
6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80831776
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propylpyrimidin-4-amine
CID 80854641
N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 80823280

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-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine (CID 80854935) is 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-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-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(N2CCN3CCCC3C2)c1C.
What is the InChIKey of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is DXGZMVBGTWHGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-3-15-13-11(2)14(17-10-16-13)19-8-7-18-6-4-5-12(18)9-19/h10,12H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine?
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 1.50, 3 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-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80854935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).