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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Related Compounds

7-Deazaadenine
CID 5359620
7H-Pyrrolo(2,3-d)pyrimidine
CID 261591
7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 265827
6-Pyrrolidino-7-deazapurine
CID 4428602
4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 18008465
N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 122199230
4-Chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 265829
N-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 12662864
4-(Pyrrolidin-1-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Amine
CID 71138081
4-(2,5-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 9815801
4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 9859224
1-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 11564772

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).