4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one

C10H12BrN5OS — CID 114181858

IUPAC4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCNc1ncc(Br)c(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C10H12BrN5OS/c1-2-12-9-14-4-7(11)8(16-9)13-3-6-5-18-10(17)15-6/h4-5H,2-3H2,1H3,(H,15,17)(H2,12,13,14,16)
InChIKeyBBJJWOVKAICSFR-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.03
Rot. Bonds5

About 4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181858) has the molecular formula C10H12BrN5OS and a molecular weight of 330.21 g/mol. Its IUPAC name is 4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181858
Molecular FormulaC10H12BrN5OS
Molecular Weight330.21 g/mol
Exact Mass328.99
IUPAC Name4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCNc1ncc(Br)c(NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C10H12BrN5OS/c1-2-12-9-14-4-7(11)8(16-9)13-3-6-5-18-10(17)15-6/h4-5H,2-3H2,1H3,(H,15,17)(H2,12,13,14,16)
InChIKeyBBJJWOVKAICSFR-UHFFFAOYSA-N
XLogP2.03
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384148
2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
CID 106383322
4-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384083
5-bromo-4-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80836657
4-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379427
5-bromo-2-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80829597
5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106901022
5-bromo-2-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80807441
4-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181879
5-bromo-2-N-ethyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80769855
5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80776985
4-[[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384261

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 114181858) is 4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is CCNc1ncc(Br)c(NCc2csc(=O)[nH]2)n1.
What is the InChIKey of 4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is BBJJWOVKAICSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5OS/c1-2-12-9-14-4-7(11)8(16-9)13-3-6-5-18-10(17)15-6/h4-5H,2-3H2,1H3,(H,15,17)(H2,12,13,14,16).
What are the key properties of 4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 330.21 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).