2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C14H23N5 — CID 114741242

IUPAC2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)c1nc(N2CCN(C)CC2)nc2c1CNC2
InChIInChI=1S/C14H23N5/c1-10(2)13-11-8-15-9-12(11)16-14(17-13)19-6-4-18(3)5-7-19/h10,15H,4-9H2,1-3H3
InChIKeyOLYDTFDNKGTJGP-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.95
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114741242) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114741242
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)c1nc(N2CCN(C)CC2)nc2c1CNC2
InChIInChI=1S/C14H23N5/c1-10(2)13-11-8-15-9-12(11)16-14(17-13)19-6-4-18(3)5-7-19/h10,15H,4-9H2,1-3H3
InChIKeyOLYDTFDNKGTJGP-UHFFFAOYSA-N
XLogP0.95
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114741242) is 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CC(C)c1nc(N2CCN(C)CC2)nc2c1CNC2.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is OLYDTFDNKGTJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10(2)13-11-8-15-9-12(11)16-14(17-13)19-6-4-18(3)5-7-19/h10,15H,4-9H2,1-3H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 261.37 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114741242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).