5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine

C12H15IN4S — CID 113451458

IUPAC5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2nc(C)cs2)nc(C(C)C)c1I
InChIInChI=1S/C12H15IN4S/c1-6(2)9-8(13)10(14-4)17-11(16-9)12-15-7(3)5-18-12/h5-6H,1-4H3,(H,14,16,17)
InChIKeyLRPUNPBQNCOQPX-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.68
Rot. Bonds3

About 5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine

5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 113451458) has the molecular formula C12H15IN4S and a molecular weight of 374.25 g/mol. Its IUPAC name is 5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID113451458
Molecular FormulaC12H15IN4S
Molecular Weight374.25 g/mol
Exact Mass374.01
IUPAC Name5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2nc(C)cs2)nc(C(C)C)c1I
InChIInChI=1S/C12H15IN4S/c1-6(2)9-8(13)10(14-4)17-11(16-9)12-15-7(3)5-18-12/h5-6H,1-4H3,(H,14,16,17)
InChIKeyLRPUNPBQNCOQPX-UHFFFAOYSA-N
XLogP3.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.68
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

N~4~-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 72896949
4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine
CID 134414944
N~4~-{[2-(dimethylamino)-1,3-thiazol-4-yl]methyl}-6-isopropylpyrimidine-2,4-diamine
CID 72842929
6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 72882505
N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-YL)piperidin-4-amine
CID 72929445
4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842477
6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 97515302
6-(2-Aminoethyl)-N-[(2-isopropyl-1,3-thiazol-4-YL)methyl]-N,2-dimethylpyrimidin-4-amine
CID 56701328
N~4~-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N~4~-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 56904387
5-butyl-6-methyl-N~4~-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72921549
N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 99637226
4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 125137571

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine (CID 113451458) is 5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine is CNc1nc(-c2nc(C)cs2)nc(C(C)C)c1I.
What is the InChIKey of 5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is LRPUNPBQNCOQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4S/c1-6(2)9-8(13)10(14-4)17-11(16-9)12-15-7(3)5-18-12/h5-6H,1-4H3,(H,14,16,17).
What are the key properties of 5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine?
5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 374.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 113451458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).