2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C14H23N3O2 — CID 102929710

IUPAC2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOCCOCCc1nc2c(c(C(C)C)n1)CNC2
InChIInChI=1S/C14H23N3O2/c1-10(2)14-11-8-15-9-12(11)16-13(17-14)4-5-19-7-6-18-3/h10,15H,4-9H2,1-3H3
InChIKeyRKVIPCDXXATCLC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.41
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 102929710) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID102929710
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOCCOCCc1nc2c(c(C(C)C)n1)CNC2
InChIInChI=1S/C14H23N3O2/c1-10(2)14-11-8-15-9-12(11)16-13(17-14)4-5-19-7-6-18-3/h10,15H,4-9H2,1-3H3
InChIKeyRKVIPCDXXATCLC-UHFFFAOYSA-N
XLogP1.41
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102929704
2-(3-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740001
2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741385
2-(ethoxymethyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738982
4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole
CID 114741278
2-butan-2-yl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741302
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline
CID 102927204
4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 103477262
2-[2-(2-methoxyethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 102928850
2-(1-methylsulfonylethyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741413
2-[cyclopropyl(ethoxy)methyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741382
2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102953176

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 102929710) is 2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COCCOCCc1nc2c(c(C(C)C)n1)CNC2.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is RKVIPCDXXATCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)14-11-8-15-9-12(11)16-13(17-14)4-5-19-7-6-18-3/h10,15H,4-9H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 265.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 102929710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).