5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane

C15H17ClN4 — CID 143328515

IUPAC5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane
SMILESCC.Nc1nc(Cl)c2c(ccn2Cc2ccccc2)n1
InChIInChI=1S/C13H11ClN4.C2H6/c14-12-11-10(16-13(15)17-12)6-7-18(11)8-9-4-2-1-3-5-9;1-2/h1-7H,8H2,(H2,15,16,17);1-2H3
InChIKeyWHRNHKYQYSLWRW-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.74
Rot. Bonds2

About 5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane

5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane (PubChem CID 143328515) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane.

Molecular Properties

Compound Name5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane
PubChem CID143328515
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane
SMILESCC.Nc1nc(Cl)c2c(ccn2Cc2ccccc2)n1
InChIInChI=1S/C13H11ClN4.C2H6/c14-12-11-10(16-13(15)17-12)6-7-18(11)8-9-4-2-1-3-5-9;1-2/h1-7H,8H2,(H2,15,16,17);1-2H3
InChIKeyWHRNHKYQYSLWRW-UHFFFAOYSA-N
XLogP3.74
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-5-benzylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 123655739
5-benzyl-4-N-butyl-6-fluoropyrrolo[3,2-d]pyrimidine-2,4-diamine;5-benzyl-4-N-butylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methane
CID 159015249
2-[3-[(2-amino-4-chloropyrrolo[3,2-d]pyrimidin-5-yl)methyl]-4-methoxyphenoxy]acetonitrile
CID 118484668
3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
CID 126585719
5-benzyl-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 126585687
5-benzyl-3-ethyl-2-methylsulfanylimidazo[4,5-c]pyridin-4-one
CID 67561559
4-(2-amino-6-phenylpyrimidin-4-yl)-1-benzylpyridin-2-one
CID 171485671
5-[[4-(aminomethyl)phenyl]methyl]-4-N-(2-ethoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 171654202
5-[[4-(aminomethyl)phenyl]methyl]-4-N-butoxypyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 171654067
[4-[[2-amino-4-(butoxyamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]phenyl]methanol
CID 171653891
7-benzyl-2,4-dichloropyrrolo[2,3-d]pyrimidine
CID 129216122
5-benzyl-6-chloropyrimidine-2,4-diamine
CID 45071766

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane?
The IUPAC name of 5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane (CID 143328515) is 5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane.
What is the SMILES notation for 5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane?
The canonical SMILES for 5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane is CC.Nc1nc(Cl)c2c(ccn2Cc2ccccc2)n1.
What is the InChIKey of 5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane?
The InChIKey is WHRNHKYQYSLWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4.C2H6/c14-12-11-10(16-13(15)17-12)6-7-18(11)8-9-4-2-1-3-5-9;1-2/h1-7H,8H2,(H2,15,16,17);1-2H3.
What are the key properties of 5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane?
5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane has a molecular weight of 288.78 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-chloropyrrolo[3,2-d]pyrimidin-2-amine;ethane is sourced from PubChem (CID 143328515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).