5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

C11H17N5 — CID 67539172

IUPAC5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CNc2ncnc(N3CCNCC3)c21
InChIInChI=1S/C11H17N5/c1-8-6-13-10-9(8)11(15-7-14-10)16-4-2-12-3-5-16/h7-8,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyNPEXJNZVDYRYAW-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.42
Rot. Bonds1

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

5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (PubChem CID 67539172) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
PubChem CID67539172
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CNc2ncnc(N3CCNCC3)c21
InChIInChI=1S/C11H17N5/c1-8-6-13-10-9(8)11(15-7-14-10)16-4-2-12-3-5-16/h7-8,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyNPEXJNZVDYRYAW-UHFFFAOYSA-N
XLogP0.42
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine
CID 66846213
7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 70968568
4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 87437222
4-methyl-6-piperazin-1-ylpyrimidin-5-amine
CID 163648799
5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine
CID 163866789
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
4-[4-[4-cyclopropyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 123524858
3-[(4R)-3-methyl-7-(5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxopropanenitrile
CID 153239646
6-methyl-5-piperazin-1-yl-1,2,4-triazine
CID 116823260
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
(2-piperazin-1-yl-3-pyridinyl)boronic acid
CID 53445093
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CID 67539172) is 5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is CC1CNc2ncnc(N3CCNCC3)c21.
What is the InChIKey of 5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is NPEXJNZVDYRYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8-6-13-10-9(8)11(15-7-14-10)16-4-2-12-3-5-16/h7-8,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 219.29 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 67539172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).