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

C14H19BrN4S — CID 66307752

IUPAC5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2nc(C)cs2)nc(NCC)c1Br
InChIInChI=1S/C14H19BrN4S/c1-4-6-10-13(15)14(16-5-2)19-11(18-10)7-12-17-9(3)8-20-12/h8H,4-7H2,1-3H3,(H,16,18,19)
InChIKeyUAVQAVLERWMVDA-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.98
Rot. Bonds6

About 5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine

5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine (PubChem CID 66307752) has the molecular formula C14H19BrN4S and a molecular weight of 355.31 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine
PubChem CID66307752
Molecular FormulaC14H19BrN4S
Molecular Weight355.31 g/mol
Exact Mass354.05
IUPAC Name5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2nc(C)cs2)nc(NCC)c1Br
InChIInChI=1S/C14H19BrN4S/c1-4-6-10-13(15)14(16-5-2)19-11(18-10)7-12-17-9(3)8-20-12/h8H,4-7H2,1-3H3,(H,16,18,19)
InChIKeyUAVQAVLERWMVDA-UHFFFAOYSA-N
XLogP3.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine
CID 66300767
N-ethyl-5-iodo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 66303037
5-bromo-N-ethyl-2-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 66305359
5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305362
4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole
CID 114741043
N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65269268
5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine
CID 66305130
5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66305762
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62795351
5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305162
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine (CID 66307752) is 5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine is CCCc1nc(Cc2nc(C)cs2)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine?
The InChIKey is UAVQAVLERWMVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4S/c1-4-6-10-13(15)14(16-5-2)19-11(18-10)7-12-17-9(3)8-20-12/h8H,4-7H2,1-3H3,(H,16,18,19).
What are the key properties of 5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine?
5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine has a molecular weight of 355.31 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).