7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine

C9H13N5 — CID 58811327

IUPAC7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)n1ccc2c(N)nc(N)nc21
InChIInChI=1S/C9H13N5/c1-5(2)14-4-3-6-7(10)12-9(11)13-8(6)14/h3-5H,1-2H3,(H4,10,11,12,13)
InChIKeyUKCIICOLKYTSNQ-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.18
Rot. Bonds1

About 7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine

7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 58811327) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID58811327
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)n1ccc2c(N)nc(N)nc21
InChIInChI=1S/C9H13N5/c1-5(2)14-4-3-6-7(10)12-9(11)13-8(6)14/h3-5H,1-2H3,(H4,10,11,12,13)
InChIKeyUKCIICOLKYTSNQ-UHFFFAOYSA-N
XLogP1.18
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 58811327) is 7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine is CC(C)n1ccc2c(N)nc(N)nc21.
What is the InChIKey of 7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is UKCIICOLKYTSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-5(2)14-4-3-6-7(10)12-9(11)13-8(6)14/h3-5H,1-2H3,(H4,10,11,12,13).
What are the key properties of 7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 191.24 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 58811327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).