(3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine

C16H18N4O2 — CID 141199081

IUPAC(3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine
SMILESCOc1ccc2oc3c(N4CCC[C@H](N)C4)ncnc3c2c1
InChIInChI=1S/C16H18N4O2/c1-21-11-4-5-13-12(7-11)14-15(22-13)16(19-9-18-14)20-6-2-3-10(17)8-20/h4-5,7,9-10H,2-3,6,8,17H2,1H3/t10-/m0/s1
InChIKeyKGQPRKPNWWZRQR-JTQLQIEISA-N
MW298.35 g/mol
LogP2.31
Rot. Bonds2

About (3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine

(3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine (PubChem CID 141199081) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine
PubChem CID141199081
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine
SMILESCOc1ccc2oc3c(N4CCC[C@H](N)C4)ncnc3c2c1
InChIInChI=1S/C16H18N4O2/c1-21-11-4-5-13-12(7-11)14-15(22-13)16(19-9-18-14)20-6-2-3-10(17)8-20/h4-5,7,9-10H,2-3,6,8,17H2,1H3/t10-/m0/s1
InChIKeyKGQPRKPNWWZRQR-JTQLQIEISA-N
XLogP2.31
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane
CID 158519057
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
CID 21002829
8-chloro-4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 11638468
4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 71968536
8-chloro-4-[(3R)-3-methylpiperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 141392137
1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46393051
8-chloro-4-(3-methylazetidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 71201273
4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 126800261
4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile
CID 46885181
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine?
The IUPAC name of (3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine (CID 141199081) is (3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine is COc1ccc2oc3c(N4CCC[C@H](N)C4)ncnc3c2c1.
What is the InChIKey of (3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine?
The InChIKey is KGQPRKPNWWZRQR-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18N4O2/c1-21-11-4-5-13-12(7-11)14-15(22-13)16(19-9-18-14)20-6-2-3-10(17)8-20/h4-5,7,9-10H,2-3,6,8,17H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine?
(3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine has a molecular weight of 298.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(8-methoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-3-amine is sourced from PubChem (CID 141199081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).