2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol

C15H25N5O2 — CID 56906444

IUPAC2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol
SMILESCc1nc2c(c(N3CCN(CCOCCO)CC3)n1)CNC2
InChIInChI=1S/C15H25N5O2/c1-12-17-14-11-16-10-13(14)15(18-12)20-4-2-19(3-5-20)6-8-22-9-7-21/h16,21H,2-11H2,1H3
InChIKeyWPNMOBMLQKSNSC-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.48
Rot. Bonds6

About 2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol

2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol (PubChem CID 56906444) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol
PubChem CID56906444
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol
SMILESCc1nc2c(c(N3CCN(CCOCCO)CC3)n1)CNC2
InChIInChI=1S/C15H25N5O2/c1-12-17-14-11-16-10-13(14)15(18-12)20-4-2-19(3-5-20)6-8-22-9-7-21/h16,21H,2-11H2,1H3
InChIKeyWPNMOBMLQKSNSC-UHFFFAOYSA-N
XLogP-0.48
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-4-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]oxolan-3-ol
CID 124204323
4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine trifluoroacetate
CID 86663163
2-cyclopentyl-N-methyl-N-(2-morpholin-4-ylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56902307
4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
CID 56910021
6-[2,3-Dihydroxy-n-propyl]-2,4-diamino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 596199
4-(4-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine
CID 59244960
2-[2-[(2-Chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 82460601
2-chloro-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 82460641
4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine
CID 83863064
(S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine hydrochloride
CID 86663150
(3S)-4-(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
CID 86663151
(S)-4-(2-chloro-6-neopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
CID 86663152

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol (CID 56906444) is 2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol is Cc1nc2c(c(N3CCN(CCOCCO)CC3)n1)CNC2.
What is the InChIKey of 2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol?
The InChIKey is WPNMOBMLQKSNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-12-17-14-11-16-10-13(14)15(18-12)20-4-2-19(3-5-20)6-8-22-9-7-21/h16,21H,2-11H2,1H3.
What are the key properties of 2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol has a molecular weight of 307.40 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 56906444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).