5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C15H15Cl2N5 — CID 11681560

IUPAC5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(CCCc3cc(Cl)ccc3Cl)c[nH]c2n1
InChIInChI=1S/C15H15Cl2N5/c16-10-4-5-11(17)8(6-10)2-1-3-9-7-20-14-12(9)13(18)21-15(19)22-14/h4-7H,1-3H2,(H5,18,19,20,21,22)
InChIKeyKPMDOQJJXIXPQH-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.60
Rot. Bonds4

About 5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 11681560) has the molecular formula C15H15Cl2N5 and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID11681560
Molecular FormulaC15H15Cl2N5
Molecular Weight336.23 g/mol
Exact Mass335.07
IUPAC Name5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(CCCc3cc(Cl)ccc3Cl)c[nH]c2n1
InChIInChI=1S/C15H15Cl2N5/c16-10-4-5-11(17)8(6-10)2-1-3-9-7-20-14-12(9)13(18)21-15(19)22-14/h4-7H,1-3H2,(H5,18,19,20,21,22)
InChIKeyKPMDOQJJXIXPQH-UHFFFAOYSA-N
XLogP3.60
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 11681560) is 5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2c(CCCc3cc(Cl)ccc3Cl)c[nH]c2n1.
What is the InChIKey of 5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is KPMDOQJJXIXPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5/c16-10-4-5-11(17)8(6-10)2-1-3-9-7-20-14-12(9)13(18)21-15(19)22-14/h4-7H,1-3H2,(H5,18,19,20,21,22).
What are the key properties of 5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 336.23 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,5-dichlorophenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 11681560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).