6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

C13H17IN4S — CID 66307028

IUPAC6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cc2nc(N)c(I)c(C(C)(C)C)n2)cs1
InChIInChI=1S/C13H17IN4S/c1-7-16-8(6-19-7)5-9-17-11(13(2,3)4)10(14)12(15)18-9/h6H,5H2,1-4H3,(H2,15,17,18)
InChIKeyGFAJACGFLNEDGE-UHFFFAOYSA-N
MW388.28 g/mol
LogP3.32
Rot. Bonds2

About 6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 66307028) has the molecular formula C13H17IN4S and a molecular weight of 388.28 g/mol. Its IUPAC name is 6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID66307028
Molecular FormulaC13H17IN4S
Molecular Weight388.28 g/mol
Exact Mass388.02
IUPAC Name6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cc2nc(N)c(I)c(C(C)(C)C)n2)cs1
InChIInChI=1S/C13H17IN4S/c1-7-16-8(6-19-7)5-9-17-11(13(2,3)4)10(14)12(15)18-9/h6H,5H2,1-4H3,(H2,15,17,18)
InChIKeyGFAJACGFLNEDGE-UHFFFAOYSA-N
XLogP3.32
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 53.32
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-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66307490
5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66301993
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191173
5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66298396
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351851
4-[(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66294245
4-[(4-chloro-5-iodopyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66293677
6-tert-butyl-5-iodo-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66305036
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 62797947
2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81073324
4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole
CID 66292433
3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294046

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (CID 66307028) is 6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is Cc1nc(Cc2nc(N)c(I)c(C(C)(C)C)n2)cs1.
What is the InChIKey of 6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is GFAJACGFLNEDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN4S/c1-7-16-8(6-19-7)5-9-17-11(13(2,3)4)10(14)12(15)18-9/h6H,5H2,1-4H3,(H2,15,17,18).
What are the key properties of 6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 388.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66307028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).