[4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol

C19H30N4O2 — CID 56902089

IUPAC[4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol
SMILESCN(CC1(CO)CCOCC1)c1nc(C2CCCC2)nc2c1CNC2
InChIInChI=1S/C19H30N4O2/c1-23(12-19(13-24)6-8-25-9-7-19)18-15-10-20-11-16(15)21-17(22-18)14-4-2-3-5-14/h14,20,24H,2-13H2,1H3
InChIKeyBBGYUACGDGBISS-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.96
Rot. Bonds5

About [4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol

[4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol (PubChem CID 56902089) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol
PubChem CID56902089
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol
SMILESCN(CC1(CO)CCOCC1)c1nc(C2CCCC2)nc2c1CNC2
InChIInChI=1S/C19H30N4O2/c1-23(12-19(13-24)6-8-25-9-7-19)18-15-10-20-11-16(15)21-17(22-18)14-4-2-3-5-14/h14,20,24H,2-13H2,1H3
InChIKeyBBGYUACGDGBISS-UHFFFAOYSA-N
XLogP1.96
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol with MolForge

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Related Compounds

[(3S)-1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol
CID 164637595
2-cyclopentyl-N-methyl-N-(2-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56902307
4-(azetidin-1-yl)-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 134410879
[1-[[4-(3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methanol
CID 166141719
(3R)-1-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-3-methylpiperidin-3-ol
CID 167284572
1-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-3-methylpiperidin-3-ol
CID 175539384
N-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 50969613
[4-[[[2-(Dimethylamino)-5,6-dimethylpyrimidin-4-yl]-methylamino]methyl]oxan-4-yl]methanol
CID 50978853
[(3aS,6aS)-2-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
CID 56902441
[1-[5,6-Dimethyl-2-(1-pyrrolidinyl)-4-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72843256
2-Methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
CID 83918892
[(3S)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97144109

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol (CID 56902089) is [4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol is CN(CC1(CO)CCOCC1)c1nc(C2CCCC2)nc2c1CNC2.
What is the InChIKey of [4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol?
The InChIKey is BBGYUACGDGBISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-23(12-19(13-24)6-8-25-9-7-19)18-15-10-20-11-16(15)21-17(22-18)14-4-2-3-5-14/h14,20,24H,2-13H2,1H3.
What are the key properties of [4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol?
[4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol has a molecular weight of 346.48 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 56902089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).