1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone

C19H30N4O2 — CID 56738601

IUPAC1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(CC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)C1
InChIInChI=1S/C19H30N4O2/c1-13(2)22-6-7-25-15(11-22)8-17(24)23-10-14-9-20-18(19(3,4)5)21-16(14)12-23/h9,13,15H,6-8,10-12H2,1-5H3
InChIKeySUDPRSXUYYCUDK-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.12
Rot. Bonds3

About 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone

1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone (PubChem CID 56738601) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone
PubChem CID56738601
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(CC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)C1
InChIInChI=1S/C19H30N4O2/c1-13(2)22-6-7-25-15(11-22)8-17(24)23-10-14-9-20-18(19(3,4)5)21-16(14)12-23/h9,13,15H,6-8,10-12H2,1-5H3
InChIKeySUDPRSXUYYCUDK-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[(2S)-spiro[2.3]hexan-2-yl]methanone
CID 95228878
1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(4-methoxyphenyl)propan-1-one
CID 56745016
1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 74239939
2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 118781326
1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one
CID 70744765
(4R)-4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1,3-oxazolidin-2-one
CID 95222499
1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrazol-1-ylpropan-1-one
CID 56759558
3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56896836
(2R)-1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95202738
(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[1-(methoxymethyl)cyclobutyl]methanone
CID 56756290
1-ethyl-5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56709009
4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-7-methylchromen-2-one
CID 171906544

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone?
The IUPAC name of 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone (CID 56738601) is 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone.
What is the SMILES notation for 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone?
The canonical SMILES for 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone is CC(C)N1CCOC(CC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)C1.
What is the InChIKey of 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone?
The InChIKey is SUDPRSXUYYCUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)22-6-7-25-15(11-22)8-17(24)23-10-14-9-20-18(19(3,4)5)21-16(14)12-23/h9,13,15H,6-8,10-12H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone?
1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone has a molecular weight of 346.48 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylmorpholin-2-yl)ethanone is sourced from PubChem (CID 56738601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).