7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C14H22N6O — CID 80958788

IUPAC7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCNc1cc(N2CCN3C(=O)NCC3C2)nc(C(C)C)n1
InChIInChI=1S/C14H22N6O/c1-9(2)13-17-11(15-3)6-12(18-13)19-4-5-20-10(8-19)7-16-14(20)21/h6,9-10H,4-5,7-8H2,1-3H3,(H,16,21)(H,15,17,18)
InChIKeyHZZPRHGZKKSOPX-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.86
Rot. Bonds3

About 7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 80958788) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID80958788
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCNc1cc(N2CCN3C(=O)NCC3C2)nc(C(C)C)n1
InChIInChI=1S/C14H22N6O/c1-9(2)13-17-11(15-3)6-12(18-13)19-4-5-20-10(8-19)7-16-14(20)21/h6,9-10H,4-5,7-8H2,1-3H3,(H,16,21)(H,15,17,18)
InChIKeyHZZPRHGZKKSOPX-UHFFFAOYSA-N
XLogP0.86
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 137009803
7-[6-(ethylamino)-2-methylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80848239
6-(4-cyclopropylpiperazin-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962074
N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80956947
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80956223
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81469827
3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
CID 80957569
4-methyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidin-4-ol
CID 81107552
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80956945
(8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 176651071
7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 106772418
6-[4-(methoxymethyl)piperidin-1-yl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80959307

Frequently Asked Questions

What is the IUPAC name of 7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 80958788) is 7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CNc1cc(N2CCN3C(=O)NCC3C2)nc(C(C)C)n1.
What is the InChIKey of 7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is HZZPRHGZKKSOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-9(2)13-17-11(15-3)6-12(18-13)19-4-5-20-10(8-19)7-16-14(20)21/h6,9-10H,4-5,7-8H2,1-3H3,(H,16,21)(H,15,17,18).
What are the key properties of 7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 80958788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).