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

C11H17N5 — CID 105474539

IUPAC4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCN1CCN(c2ncnc3c2CNC3)CC1
InChIInChI=1S/C11H17N5/c1-15-2-4-16(5-3-15)11-9-6-12-7-10(9)13-8-14-11/h8,12H,2-7H2,1H3
InChIKeyNSKFNVKWVXTBFI-UHFFFAOYSA-N
MW219.29 g/mol
LogP-0.17
Rot. Bonds1

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

4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 105474539) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID105474539
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCN1CCN(c2ncnc3c2CNC3)CC1
InChIInChI=1S/C11H17N5/c1-15-2-4-16(5-3-15)11-9-6-12-7-10(9)13-8-14-11/h8,12H,2-7H2,1H3
InChIKeyNSKFNVKWVXTBFI-UHFFFAOYSA-N
XLogP-0.17
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 81223026
5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 99983541
4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81223033
(5R)-5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 58458309
(5S)-5-methyl-4-(4-methylpiperazin-1-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 71142946
2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 59493796
4,6-bis(4-methylpiperazin-1-yl)-5-nitropyrimidine
CID 7584049
4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81222689
3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 7424099
(5,6-dimethylpyrimidin-4-yl)-[4-(4-methylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methanone
CID 131681895
4-(4-methylsulfonylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56889018
4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
CID 133365798

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 105474539) is 4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CN1CCN(c2ncnc3c2CNC3)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is NSKFNVKWVXTBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-15-2-4-16(5-3-15)11-9-6-12-7-10(9)13-8-14-11/h8,12H,2-7H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 219.29 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 105474539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).