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

C12H16N4 — CID 175879528

IUPAC4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(C2CCCCC2)c2cc[nH]c2n1
InChIInChI=1S/C12H16N4/c13-12-15-10(8-4-2-1-3-5-8)9-6-7-14-11(9)16-12/h6-8H,1-5H2,(H3,13,14,15,16)
InChIKeyCBZWTWYTTJYEFT-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.59
Rot. Bonds1

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

4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 175879528) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID175879528
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(C2CCCCC2)c2cc[nH]c2n1
InChIInChI=1S/C12H16N4/c13-12-15-10(8-4-2-1-3-5-8)9-6-7-14-11(9)16-12/h6-8H,1-5H2,(H3,13,14,15,16)
InChIKeyCBZWTWYTTJYEFT-UHFFFAOYSA-N
XLogP2.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 175879528) is 4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Nc1nc(C2CCCCC2)c2cc[nH]c2n1.
What is the InChIKey of 4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is CBZWTWYTTJYEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-12-15-10(8-4-2-1-3-5-8)9-6-7-14-11(9)16-12/h6-8H,1-5H2,(H3,13,14,15,16).
What are the key properties of 4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 216.29 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 175879528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).