N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine

C22H23N3OS — CID 13490961

IUPACN,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine
SMILESCN(C)CCCSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2
InChIInChI=1S/C22H23N3OS/c1-25(2)13-8-14-27-22-18-15-17-11-6-7-12-19(17)26-21(18)23-20(24-22)16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKeySQBTUJSTIMBNRG-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.88
Rot. Bonds6

About N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine

N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine (PubChem CID 13490961) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine
PubChem CID13490961
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC NameN,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine
SMILESCN(C)CCCSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2
InChIInChI=1S/C22H23N3OS/c1-25(2)13-8-14-27-22-18-15-17-11-6-7-12-19(17)26-21(18)23-20(24-22)16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKeySQBTUJSTIMBNRG-UHFFFAOYSA-N
XLogP4.88
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine (CID 13490961) is N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine is CN(C)CCCSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2.
What is the InChIKey of N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine?
The InChIKey is SQBTUJSTIMBNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-25(2)13-8-14-27-22-18-15-17-11-6-7-12-19(17)26-21(18)23-20(24-22)16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine?
N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine has a molecular weight of 377.51 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 13490961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).