N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine

C15H18FN3OS — CID 134534763

IUPACN-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNSC(C)Cc2ncc(F)cn2)cc1
InChIInChI=1S/C15H18FN3OS/c1-11(7-15-17-9-13(16)10-18-15)21-19-8-12-3-5-14(20-2)6-4-12/h3-6,9-11,19H,7-8H2,1-2H3
InChIKeyRFWMANKKEMROAF-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.99
Rot. Bonds7

About N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine

N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 134534763) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine
PubChem CID134534763
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC NameN-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNSC(C)Cc2ncc(F)cn2)cc1
InChIInChI=1S/C15H18FN3OS/c1-11(7-15-17-9-13(16)10-18-15)21-19-8-12-3-5-14(20-2)6-4-12/h3-6,9-11,19H,7-8H2,1-2H3
InChIKeyRFWMANKKEMROAF-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine 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

5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid
CID 104606826
(2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 25339836
5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 61311581
trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide
CID 134553009
cis-(1S,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide
CID 134541124
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 134542446
2-[bis[(4-methoxyphenyl)methyl]amino]sulfanyl-1-(5-fluoropyrimidin-2-yl)ethanol
CID 142359421
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine
CID 142539954
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
(2S)-2-[(4-methoxyphenyl)methylamino]propanal
CID 151027433

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine (CID 134534763) is N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine is COc1ccc(CNSC(C)Cc2ncc(F)cn2)cc1.
What is the InChIKey of N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is RFWMANKKEMROAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-11(7-15-17-9-13(16)10-18-15)21-19-8-12-3-5-14(20-2)6-4-12/h3-6,9-11,19H,7-8H2,1-2H3.
What are the key properties of N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine?
N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 307.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 134534763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).