2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine

C13H18N4OS — CID 62795534

IUPAC2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1ccnc(Cc2nc(C)cs2)n1
InChIInChI=1S/C13H18N4OS/c1-10-9-19-13(16-10)7-12-15-4-3-11(17-12)8-14-5-6-18-2/h3-4,9,14H,5-8H2,1-2H3
InChIKeyAIPNXMIFBMONHI-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.57
Rot. Bonds7

About 2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine

2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine (PubChem CID 62795534) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine
PubChem CID62795534
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1ccnc(Cc2nc(C)cs2)n1
InChIInChI=1S/C13H18N4OS/c1-10-9-19-13(16-10)7-12-15-4-3-11(17-12)8-14-5-6-18-2/h3-4,9,14H,5-8H2,1-2H3
InChIKeyAIPNXMIFBMONHI-UHFFFAOYSA-N
XLogP1.57
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 106815497
2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine
CID 62748475
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62748294
1-(2-methylpyrimidin-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62747714
N-[[2-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 63022499
N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 78992604
N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62746833
2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine
CID 103987965
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62796209
5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960965
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
CID 82516321
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine (CID 62795534) is 2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine is COCCNCc1ccnc(Cc2nc(C)cs2)n1.
What is the InChIKey of 2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is AIPNXMIFBMONHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10-9-19-13(16-10)7-12-15-4-3-11(17-12)8-14-5-6-18-2/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 278.38 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62795534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).