4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C14H16N6 — CID 140943330

IUPAC4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nn(C)cc1Nc1nc(C2CC2)c2cc[nH]c2n1
InChIInChI=1S/C14H16N6/c1-8-11(7-20(2)19-8)16-14-17-12(9-3-4-9)10-5-6-15-13(10)18-14/h5-7,9H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyXIDKRZDXLGGYIY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.62
Rot. Bonds3

About 4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 140943330) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID140943330
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nn(C)cc1Nc1nc(C2CC2)c2cc[nH]c2n1
InChIInChI=1S/C14H16N6/c1-8-11(7-20(2)19-8)16-14-17-12(9-3-4-9)10-5-6-15-13(10)18-14/h5-7,9H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyXIDKRZDXLGGYIY-UHFFFAOYSA-N
XLogP2.62
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 140943330) is 4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1nn(C)cc1Nc1nc(C2CC2)c2cc[nH]c2n1.
What is the InChIKey of 4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is XIDKRZDXLGGYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-8-11(7-20(2)19-8)16-14-17-12(9-3-4-9)10-5-6-15-13(10)18-14/h5-7,9H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 140943330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).