4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C20H26N6O — CID 95710949

IUPAC4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESc1cc(-c2nc3c(c(N4CCN(C[C@H]5CCCO5)CC4)n2)CNC3)ccn1
InChIInChI=1S/C20H26N6O/c1-2-16(27-11-1)14-25-7-9-26(10-8-25)20-17-12-22-13-18(17)23-19(24-20)15-3-5-21-6-4-15/h3-6,16,22H,1-2,7-14H2/t16-/m1/s1
InChIKeyYPQYWSXBJIFDLY-MRXNPFEDSA-N
MW366.47 g/mol
LogP1.44
Rot. Bonds4

About 4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 95710949) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID95710949
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESc1cc(-c2nc3c(c(N4CCN(C[C@H]5CCCO5)CC4)n2)CNC3)ccn1
InChIInChI=1S/C20H26N6O/c1-2-16(27-11-1)14-25-7-9-26(10-8-25)20-17-12-22-13-18(17)23-19(24-20)15-3-5-21-6-4-15/h3-6,16,22H,1-2,7-14H2/t16-/m1/s1
InChIKeyYPQYWSXBJIFDLY-MRXNPFEDSA-N
XLogP1.44
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

(4aR,8aR)-2-(2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 133115987
4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 95727036
N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 95111490
4-(3-phenylpiperazin-1-yl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56885686
4-(4-ethylsulfonylpiperazin-1-yl)-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56905290
4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 53193780
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56740936
N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95193387
[4-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]methanesulfinic acid
CID 174623074
3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944997
4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 171327906

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 95710949) is 4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is c1cc(-c2nc3c(c(N4CCN(C[C@H]5CCCO5)CC4)n2)CNC3)ccn1.
What is the InChIKey of 4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is YPQYWSXBJIFDLY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N6O/c1-2-16(27-11-1)14-25-7-9-26(10-8-25)20-17-12-22-13-18(17)23-19(24-20)15-3-5-21-6-4-15/h3-6,16,22H,1-2,7-14H2/t16-/m1/s1.
What are the key properties of 4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 366.47 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 95710949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).