2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine

C20H21N5O — CID 166124658

IUPAC2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine
SMILESCc1nc(N2CCCC2)c2oc3ccccc3c2n1.Nc1ccncc1
InChIInChI=1S/C15H15N3O.C5H6N2/c1-10-16-13-11-6-2-3-7-12(11)19-14(13)15(17-10)18-8-4-5-9-18;6-5-1-3-7-4-2-5/h2-3,6-7H,4-5,8-9H2,1H3;1-4H,(H2,6,7)
InChIKeyCNLKNRGFMPFOLT-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.95
Rot. Bonds1

About 2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine

2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine (PubChem CID 166124658) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine
PubChem CID166124658
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine
SMILESCc1nc(N2CCCC2)c2oc3ccccc3c2n1.Nc1ccncc1
InChIInChI=1S/C15H15N3O.C5H6N2/c1-10-16-13-11-6-2-3-7-12(11)19-14(13)15(17-10)18-8-4-5-9-18;6-5-1-3-7-4-2-5/h2-3,6-7H,4-5,8-9H2,1H3;1-4H,(H2,6,7)
InChIKeyCNLKNRGFMPFOLT-UHFFFAOYSA-N
XLogP3.95
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 663675
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 663361
2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124766
ethyl 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 664715
2-(1-fluoroethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124715
2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124631
2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 178002712
furan-2-yl-[4-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone;hydron;chloride
CID 664121
cesium;carbanide;2,4-dipyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;formic acid
CID 177223712
N-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53010506
4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 603361
2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride
CID 135958604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine?
The IUPAC name of 2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine (CID 166124658) is 2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine.
What is the SMILES notation for 2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine?
The canonical SMILES for 2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine is Cc1nc(N2CCCC2)c2oc3ccccc3c2n1.Nc1ccncc1.
What is the InChIKey of 2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine?
The InChIKey is CNLKNRGFMPFOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O.C5H6N2/c1-10-16-13-11-6-2-3-7-12(11)19-14(13)15(17-10)18-8-4-5-9-18;6-5-1-3-7-4-2-5/h2-3,6-7H,4-5,8-9H2,1H3;1-4H,(H2,6,7).
What are the key properties of 2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine?
2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine has a molecular weight of 347.42 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine is sourced from PubChem (CID 166124658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).