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

C12H15IN4S — CID 66304558

IUPAC5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2csc(C)n2)ncc1I
InChIInChI=1S/C12H15IN4S/c1-3-4-14-12-10(13)6-15-11(17-12)5-9-7-18-8(2)16-9/h6-7H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyPWBSHPFACMKXNK-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.26
Rot. Bonds5

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

5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine (PubChem CID 66304558) has the molecular formula C12H15IN4S and a molecular weight of 374.25 g/mol. Its IUPAC name is 5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
PubChem CID66304558
Molecular FormulaC12H15IN4S
Molecular Weight374.25 g/mol
Exact Mass374.01
IUPAC Name5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2csc(C)n2)ncc1I
InChIInChI=1S/C12H15IN4S/c1-3-4-14-12-10(13)6-15-11(17-12)5-9-7-18-8(2)16-9/h6-7H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyPWBSHPFACMKXNK-UHFFFAOYSA-N
XLogP3.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

4-[(4-chloro-5-iodopyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66293677
5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
CID 66300780
2-(4-chlorothiophen-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 79426456
(1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol
CID 94607488
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide
CID 62157737
5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine
CID 113362270
N-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65268800
5-bromo-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 66304757
2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-2-amine
CID 62797614
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106041779
6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 106041828
6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66307028

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine (CID 66304558) is 5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine is CCCNc1nc(Cc2csc(C)n2)ncc1I.
What is the InChIKey of 5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine?
The InChIKey is PWBSHPFACMKXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4S/c1-3-4-14-12-10(13)6-15-11(17-12)5-9-7-18-8(2)16-9/h6-7H,3-5H2,1-2H3,(H,14,15,17).
What are the key properties of 5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine?
5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine has a molecular weight of 374.25 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66304558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).