4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine

C9H12N4 — CID 158927165

IUPAC4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCC(C)c1nc(N)nc2c1N=CC2
InChIInChI=1S/C9H12N4/c1-5(2)7-8-6(3-4-11-8)12-9(10)13-7/h4-5H,3H2,1-2H3,(H2,10,12,13)
InChIKeyILJHLZANMKZZKL-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.44
Rot. Bonds1

About 4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine

4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 158927165) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID158927165
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCC(C)c1nc(N)nc2c1N=CC2
InChIInChI=1S/C9H12N4/c1-5(2)7-8-6(3-4-11-8)12-9(10)13-7/h4-5H,3H2,1-2H3,(H2,10,12,13)
InChIKeyILJHLZANMKZZKL-UHFFFAOYSA-N
XLogP1.44
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 158927165) is 4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine is CC(C)c1nc(N)nc2c1N=CC2.
What is the InChIKey of 4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is ILJHLZANMKZZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-5(2)7-8-6(3-4-11-8)12-9(10)13-7/h4-5H,3H2,1-2H3,(H2,10,12,13).
What are the key properties of 4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine?
4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 176.22 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 158927165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).