5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine

C10H13N3 — CID 174580185

IUPAC5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCCc1ncnc2[nH]cc(C)c12
InChIInChI=1S/C10H13N3/c1-3-4-8-9-7(2)5-11-10(9)13-6-12-8/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyVBFDOMDDGNHWOP-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.22
Rot. Bonds2

About 5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine

5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 174580185) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID174580185
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCCc1ncnc2[nH]cc(C)c12
InChIInChI=1S/C10H13N3/c1-3-4-8-9-7(2)5-11-10(9)13-6-12-8/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyVBFDOMDDGNHWOP-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine (CID 174580185) is 5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine is CCCc1ncnc2[nH]cc(C)c12.
What is the InChIKey of 5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is VBFDOMDDGNHWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-4-8-9-7(2)5-11-10(9)13-6-12-8/h5-6H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine?
5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 175.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 174580185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).