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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Related Compounds

N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine
CID 167337421
4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol
CID 164969444
2-chloro-N-cyclobutylfuro[3,2-d]pyrimidin-4-amine
CID 87562610
tert-butyl 2-chloro-4-(1H-isoindol-5-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 158166105
2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine
CID 86665115
2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 165037811
2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane
CID 142498170
2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 161474659
5-N,6-N-bis(3,4-dichlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3094576
trans-methyl (1S,2S)-2-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 145401868
N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine
CID 152803394
2-chloro-4-phenylfuro[3,2-d]pyrimidine
CID 118682597

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).