4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine

C15H14Cl2N4O — CID 69167275

IUPAC4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCC(C)Oc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N4O/c1-7(2)22-12-5-8(9(16)6-10(12)17)13-14-11(3-4-19-14)20-15(18)21-13/h3-7,19H,1-2H3,(H2,18,20,21)
InChIKeyDPCMAZMJAFIWQK-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.30
Rot. Bonds3

About 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine

4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 69167275) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID69167275
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCC(C)Oc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N4O/c1-7(2)22-12-5-8(9(16)6-10(12)17)13-14-11(3-4-19-14)20-15(18)21-13/h3-7,19H,1-2H3,(H2,18,20,21)
InChIKeyDPCMAZMJAFIWQK-UHFFFAOYSA-N
XLogP4.30
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 69167275) is 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is CC(C)Oc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is DPCMAZMJAFIWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c1-7(2)22-12-5-8(9(16)6-10(12)17)13-14-11(3-4-19-14)20-15(18)21-13/h3-7,19H,1-2H3,(H2,18,20,21).
What are the key properties of 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 337.21 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 69167275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).