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

C13H10Cl2N4O — CID 118576638

IUPAC4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N4O/c1-20-10-4-6(7(14)5-8(10)15)11-12-9(2-3-17-12)18-13(16)19-11/h2-5,17H,1H3,(H2,16,18,19)
InChIKeyOMNUGVFYJHHZDL-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.52
Rot. Bonds2

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

4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 118576638) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID118576638
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N4O/c1-20-10-4-6(7(14)5-8(10)15)11-12-9(2-3-17-12)18-13(16)19-11/h2-5,17H,1H3,(H2,16,18,19)
InChIKeyOMNUGVFYJHHZDL-UHFFFAOYSA-N
XLogP3.52
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-8-methoxy-5H-pyrimido[5,4-b]indole
CID 5399944
4-(2,4-Dichloro-5-Methoxyphenyl)-2-Methyl-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 52940059
(5-(2,4-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11611325
(5-(2,4-Dichlorophenyl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11654528
(2-(2-Methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11655271
(5-(2,4-Dichlorophenyl)-2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11697286
(5-(2,6-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11711314
3-[2-chloro-4-(5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)phenoxy]benzonitrile
CID 56851432
N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851589
N-[3-chloro-4-(3-methylphenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851592
N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851594
5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
CID 137368582

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 118576638) is 4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is COc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is OMNUGVFYJHHZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c1-20-10-4-6(7(14)5-8(10)15)11-12-9(2-3-17-12)18-13(16)19-11/h2-5,17H,1H3,(H2,16,18,19).
What are the key properties of 4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 309.16 g/mol, XLogP of 3.52, 2 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-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 118576638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).