5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine

C7H15N3 — CID 170905528

IUPAC5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CNC2NCNCC12
InChIInChI=1S/C7H15N3/c1-5-2-9-7-6(5)3-8-4-10-7/h5-10H,2-4H2,1H3
InChIKeyVLJYWXIURMXINY-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.68
Rot. Bonds

About 5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine

5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine (PubChem CID 170905528) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine
PubChem CID170905528
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CNC2NCNCC12
InChIInChI=1S/C7H15N3/c1-5-2-9-7-6(5)3-8-4-10-7/h5-10H,2-4H2,1H3
InChIKeyVLJYWXIURMXINY-UHFFFAOYSA-N
XLogP-0.68
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine (CID 170905528) is 5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine is CC1CNC2NCNCC12.
What is the InChIKey of 5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is VLJYWXIURMXINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-5-2-9-7-6(5)3-8-4-10-7/h5-10H,2-4H2,1H3.
What are the key properties of 5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine?
5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 141.22 g/mol, XLogP of -0.68, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 170905528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).