(3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine

C15H14Cl2N4O — CID 141272690

IUPAC(3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCN[C@@H]1CCN(c2ncnc3c2oc2ccc(Cl)c(Cl)c23)C1
InChIInChI=1S/C15H14Cl2N4O/c1-18-8-4-5-21(6-8)15-14-13(19-7-20-15)11-10(22-14)3-2-9(16)12(11)17/h2-3,7-8,18H,4-6H2,1H3/t8-/m1/s1
InChIKeyHSPQKSWVMXHPPX-MRVPVSSYSA-N
MW337.21 g/mol
LogP3.48
Rot. Bonds2

About (3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine

(3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine (PubChem CID 141272690) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is (3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine
PubChem CID141272690
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name(3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCN[C@@H]1CCN(c2ncnc3c2oc2ccc(Cl)c(Cl)c23)C1
InChIInChI=1S/C15H14Cl2N4O/c1-18-8-4-5-21(6-8)15-14-13(19-7-20-15)11-10(22-14)3-2-9(16)12(11)17/h2-3,7-8,18H,4-6H2,1H3/t8-/m1/s1
InChIKeyHSPQKSWVMXHPPX-MRVPVSSYSA-N
XLogP3.48
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8,9-dichloro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 74326567
8,9-dichloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67429283
4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile
CID 46885181
8,9-difluoro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 76538136
[(3R)-1-(7-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 69107873
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
N-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-amine
CID 63277049
8-chloro-4-[(3R)-3-methylpiperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 141392137
8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 71201273
1-furo[3,2-c]pyridin-4-yl-N-methylpyrrolidin-3-amine
CID 106535363
8-chloro-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 11638468
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine (CID 141272690) is (3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine is CN[C@@H]1CCN(c2ncnc3c2oc2ccc(Cl)c(Cl)c23)C1.
What is the InChIKey of (3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is HSPQKSWVMXHPPX-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c1-18-8-4-5-21(6-8)15-14-13(19-7-20-15)11-10(22-14)3-2-9(16)12(11)17/h2-3,7-8,18H,4-6H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine?
(3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine has a molecular weight of 337.21 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(8,9-dichloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 141272690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).