5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine

C13H17IN4S — CID 66305130

IUPAC5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2nc(C)cs2)nc(C)c1I
InChIInChI=1S/C13H17IN4S/c1-4-5-15-13-12(14)9(3)17-10(18-13)6-11-16-8(2)7-19-11/h7H,4-6H2,1-3H3,(H,15,17,18)
InChIKeyAWVVTLHTKXYKNI-UHFFFAOYSA-N
MW388.28 g/mol
LogP3.57
Rot. Bonds5

About 5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine

5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine (PubChem CID 66305130) has the molecular formula C13H17IN4S and a molecular weight of 388.28 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine
PubChem CID66305130
Molecular FormulaC13H17IN4S
Molecular Weight388.28 g/mol
Exact Mass388.02
IUPAC Name5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2nc(C)cs2)nc(C)c1I
InChIInChI=1S/C13H17IN4S/c1-4-5-15-13-12(14)9(3)17-10(18-13)6-11-16-8(2)7-19-11/h7H,4-6H2,1-3H3,(H,15,17,18)
InChIKeyAWVVTLHTKXYKNI-UHFFFAOYSA-N
XLogP3.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300150
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62795351
5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine
CID 66306718
5-bromo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine
CID 66300767
N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 66303037
5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
CID 66307320
5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306125
5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine
CID 66307752
5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 62795185
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62796209
5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120
5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 66305735

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine (CID 66305130) is 5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine is CCCNc1nc(Cc2nc(C)cs2)nc(C)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine?
The InChIKey is AWVVTLHTKXYKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN4S/c1-4-5-15-13-12(14)9(3)17-10(18-13)6-11-16-8(2)7-19-11/h7H,4-6H2,1-3H3,(H,15,17,18).
What are the key properties of 5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine?
5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine has a molecular weight of 388.28 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66305130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).