2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

C10H11Cl2N4+ — CID 123701838

IUPAC2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine
SMILESClc1nc2[nH]cc(Cl)c2c(NC2CCC2)[nH+]1
InChIInChI=1S/C10H10Cl2N4/c11-6-4-13-8-7(6)9(16-10(12)15-8)14-5-2-1-3-5/h4-5H,1-3H2,(H2,13,14,15,16)/p+1
InChIKeyGHWXGLFVBAMFFG-UHFFFAOYSA-O
MW258.13 g/mol
LogP2.65
Rot. Bonds2

About 2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine (PubChem CID 123701838) has the molecular formula C10H11Cl2N4+ and a molecular weight of 258.13 g/mol. Its IUPAC name is 2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine
PubChem CID123701838
Molecular FormulaC10H11Cl2N4+
Molecular Weight258.13 g/mol
Exact Mass257.04
IUPAC Name2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine
SMILESClc1nc2[nH]cc(Cl)c2c(NC2CCC2)[nH+]1
InChIInChI=1S/C10H10Cl2N4/c11-6-4-13-8-7(6)9(16-10(12)15-8)14-5-2-1-3-5/h4-5H,1-3H2,(H2,13,14,15,16)/p+1
InChIKeyGHWXGLFVBAMFFG-UHFFFAOYSA-O
XLogP2.65
TPSA54.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11506669
4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 123651895
2-N-[3-amino-4-(methyliminomethyl)phenyl]-5-chloro-4-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 89143351
2,4,6-trichloro-N-cyclobutylaniline
CID 63425611
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
CID 136975373
3,5,6-trichloro-N-cyclopentylpyridin-2-amine
CID 102750169
3-chloro-N-cyclobutylpyridin-2-amine
CID 62414981
6-chloro-N-cyclobutylpyrazin-2-amine
CID 62415214
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 153397118
1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 137408213

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine?
The IUPAC name of 2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine (CID 123701838) is 2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine.
What is the SMILES notation for 2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine?
The canonical SMILES for 2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine is Clc1nc2[nH]cc(Cl)c2c(NC2CCC2)[nH+]1.
What is the InChIKey of 2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine?
The InChIKey is GHWXGLFVBAMFFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10Cl2N4/c11-6-4-13-8-7(6)9(16-10(12)15-8)14-5-2-1-3-5/h4-5H,1-3H2,(H2,13,14,15,16)/p+1.
What are the key properties of 2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine?
2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine has a molecular weight of 258.13 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine is sourced from PubChem (CID 123701838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).