2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

C19H27N7O — CID 75992483

IUPAC2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESCC(C)Cn1cc(-c2nc(NC3CCCCC3N)nc3c2C(=O)NC3)cn1
InChIInChI=1S/C19H27N7O/c1-11(2)9-26-10-12(7-22-26)17-16-15(8-21-18(16)27)24-19(25-17)23-14-6-4-3-5-13(14)20/h7,10-11,13-14H,3-6,8-9,20H2,1-2H3,(H,21,27)(H,23,24,25)
InChIKeyNBJRGKFKJYKCFT-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.92
Rot. Bonds5

About 2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 75992483) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
PubChem CID75992483
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESCC(C)Cn1cc(-c2nc(NC3CCCCC3N)nc3c2C(=O)NC3)cn1
InChIInChI=1S/C19H27N7O/c1-11(2)9-26-10-12(7-22-26)17-16-15(8-21-18(16)27)24-19(25-17)23-14-6-4-3-5-13(14)20/h7,10-11,13-14H,3-6,8-9,20H2,1-2H3,(H,21,27)(H,23,24,25)
InChIKeyNBJRGKFKJYKCFT-UHFFFAOYSA-N
XLogP1.92
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-ethylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 53252109
6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 75991977
7-[(2-aminocyclohexyl)amino]-5-(1-methylpyrazol-4-yl)-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one
CID 123910473
2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-f][1,4]oxazepin-5-one
CID 123319152
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(1-benzothiophen-3-yl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 58317677
2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137154468
2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137147771
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 71499004
6-[(2-aminocyclohexyl)amino]-4-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 78018757
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(2-methyl-1,3-thiazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 53251010
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 71164916
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 71164915

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (CID 75992483) is 2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is CC(C)Cn1cc(-c2nc(NC3CCCCC3N)nc3c2C(=O)NC3)cn1.
What is the InChIKey of 2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is NBJRGKFKJYKCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-11(2)9-26-10-12(7-22-26)17-16-15(8-21-18(16)27)24-19(25-17)23-14-6-4-3-5-13(14)20/h7,10-11,13-14H,3-6,8-9,20H2,1-2H3,(H,21,27)(H,23,24,25).
What are the key properties of 2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 369.47 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)amino]-4-[1-(2-methylpropyl)pyrazol-4-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 75992483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).