2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine

C13H15Cl2N3 — CID 118636092

IUPAC2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine
SMILESClc1nc(Cl)c2ccn(CC3CCCCC3)c2n1
InChIInChI=1S/C13H15Cl2N3/c14-11-10-6-7-18(12(10)17-13(15)16-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyCXTXGXASIDGKHD-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.32
Rot. Bonds2

About 2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine

2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 118636092) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine
PubChem CID118636092
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine
SMILESClc1nc(Cl)c2ccn(CC3CCCCC3)c2n1
InChIInChI=1S/C13H15Cl2N3/c14-11-10-6-7-18(12(10)17-13(15)16-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyCXTXGXASIDGKHD-UHFFFAOYSA-N
XLogP4.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine (CID 118636092) is 2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine is Clc1nc(Cl)c2ccn(CC3CCCCC3)c2n1.
What is the InChIKey of 2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is CXTXGXASIDGKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c14-11-10-6-7-18(12(10)17-13(15)16-11)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2.
What are the key properties of 2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine?
2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 284.19 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118636092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).