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

C12H16N4S — CID 62797947

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(Cc2csc(C)n2)n1
InChIInChI=1S/C12H16N4S/c1-3-4-9-5-11(13)16-12(15-9)6-10-7-17-8(2)14-10/h5,7H,3-4,6H2,1-2H3,(H2,13,15,16)
InChIKeyQGAZAWRMMXWEIH-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.37
Rot. Bonds4

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

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine (PubChem CID 62797947) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
PubChem CID62797947
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(Cc2csc(C)n2)n1
InChIInChI=1S/C12H16N4S/c1-3-4-9-5-11(13)16-12(15-9)6-10-7-17-8(2)14-10/h5,7H,3-4,6H2,1-2H3,(H2,13,15,16)
InChIKeyQGAZAWRMMXWEIH-UHFFFAOYSA-N
XLogP2.37
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethyl]-6-propylpyrimidin-4-amine
CID 115346978
5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66307490
5-bromo-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 66304757
N-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65268800
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
2-propylpyrimidine-4,6-diamine
CID 67304918
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191173
6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66307028
2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine
CID 79426666
6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid
CID 62799012
4-methyl-5-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 62798415
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351851

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine (CID 62797947) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine is CCCc1cc(N)nc(Cc2csc(C)n2)n1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine?
The InChIKey is QGAZAWRMMXWEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-4-9-5-11(13)16-12(15-9)6-10-7-17-8(2)14-10/h5,7H,3-4,6H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine?
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine has a molecular weight of 248.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 62797947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).