5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine

C9H9IN4S — CID 104841516

IUPAC5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
SMILESCN(Cc1cscn1)c1ncc(I)cn1
InChIInChI=1S/C9H9IN4S/c1-14(4-8-5-15-6-13-8)9-11-2-7(10)3-12-9/h2-3,5-6H,4H2,1H3
InChIKeyKUEBSHCKUWUTGO-UHFFFAOYSA-N
MW332.17 g/mol
LogP2.17
Rot. Bonds3

About 5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine

5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine (PubChem CID 104841516) has the molecular formula C9H9IN4S and a molecular weight of 332.17 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
PubChem CID104841516
Molecular FormulaC9H9IN4S
Molecular Weight332.17 g/mol
Exact Mass331.96
IUPAC Name5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
SMILESCN(Cc1cscn1)c1ncc(I)cn1
InChIInChI=1S/C9H9IN4S/c1-14(4-8-5-15-6-13-8)9-11-2-7(10)3-12-9/h2-3,5-6H,4H2,1H3
InChIKeyKUEBSHCKUWUTGO-UHFFFAOYSA-N
XLogP2.17
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 91268064
5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 103745889
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814611
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83266327
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3-diamine
CID 66278220
3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine
CID 115001003
2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80790537
4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-5-amine
CID 62286192
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63076116

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine (CID 104841516) is 5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine is CN(Cc1cscn1)c1ncc(I)cn1.
What is the InChIKey of 5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is KUEBSHCKUWUTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN4S/c1-14(4-8-5-15-6-13-8)9-11-2-7(10)3-12-9/h2-3,5-6H,4H2,1H3.
What are the key properties of 5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine?
5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 332.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 104841516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).