2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine

C14H9ClN4O — CID 157282792

IUPAC2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine
SMILESClc1nc(Nc2ccc3c(c2)C=NC3)c2occc2n1
InChIInChI=1S/C14H9ClN4O/c15-14-18-11-3-4-20-12(11)13(19-14)17-10-2-1-8-6-16-7-9(8)5-10/h1-5,7H,6H2,(H,17,18,19)
InChIKeyCYUDRUQZSQYTBY-UHFFFAOYSA-N
MW284.71 g/mol
LogP3.55
Rot. Bonds2

About 2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine

2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine (PubChem CID 157282792) has the molecular formula C14H9ClN4O and a molecular weight of 284.71 g/mol. Its IUPAC name is 2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine
PubChem CID157282792
Molecular FormulaC14H9ClN4O
Molecular Weight284.71 g/mol
Exact Mass284.05
IUPAC Name2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine
SMILESClc1nc(Nc2ccc3c(c2)C=NC3)c2occc2n1
InChIInChI=1S/C14H9ClN4O/c15-14-18-11-3-4-20-12(11)13(19-14)17-10-2-1-8-6-16-7-9(8)5-10/h1-5,7H,6H2,(H,17,18,19)
InChIKeyCYUDRUQZSQYTBY-UHFFFAOYSA-N
XLogP3.55
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine (CID 157282792) is 2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine is Clc1nc(Nc2ccc3c(c2)C=NC3)c2occc2n1.
What is the InChIKey of 2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine?
The InChIKey is CYUDRUQZSQYTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O/c15-14-18-11-3-4-20-12(11)13(19-14)17-10-2-1-8-6-16-7-9(8)5-10/h1-5,7H,6H2,(H,17,18,19).
What are the key properties of 2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine?
2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine has a molecular weight of 284.71 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 157282792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).