1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine

C14H13ClN4O — CID 46884998

IUPAC1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1
InChIInChI=1S/C14H13ClN4O/c15-8-1-2-11-10(5-8)12-13(20-11)14(18-7-17-12)19-4-3-9(16)6-19/h1-2,5,7,9H,3-4,6,16H2
InChIKeyAWMDLMLCVFXVMN-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.57
Rot. Bonds1

About 1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine

1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 46884998) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID46884998
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1
InChIInChI=1S/C14H13ClN4O/c15-8-1-2-11-10(5-8)12-13(20-11)14(18-7-17-12)19-4-3-9(16)6-19/h1-2,5,7,9H,3-4,6,16H2
InChIKeyAWMDLMLCVFXVMN-UHFFFAOYSA-N
XLogP2.57
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 609295
(R)-8-chloro-4-(3-(methylamino)pyrrolidin-1-yl)benzofuro[3,2-d]pyrimidin-2-amine
CID 16718567
8-Chloro-4-(4-methyl-piperazin-1-yl)-benzo[4,5]furo[3,2-d]pyrimidin-2-ylamine
CID 23653543
8-bromo-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24737950
8-Chloro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24826766
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57396301
N-(sec-butyl)-2-methylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 16682334
4-Chloro-2-methylbenzofuro[3,2-d]pyrimidine
CID 603361
N-Phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 621402
4-(4-Methylpiperazin-1-yl)benzofuro[3,2-d]pyrimidine
CID 2306318
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)butanoic acid
CID 7547931
N-(2-methoxyethyl)-2-phenylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 16682474

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine (CID 46884998) is 1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine is NC1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1.
What is the InChIKey of 1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is AWMDLMLCVFXVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-8-1-2-11-10(5-8)12-13(20-11)14(18-7-17-12)19-4-3-9(16)6-19/h1-2,5,7,9H,3-4,6,16H2.
What are the key properties of 1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine?
1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 288.74 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 46884998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).