2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

C10H10Cl2N4S — CID 79632210

IUPAC2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1csc(CCNc2nc(Cl)ncc2Cl)n1
InChIInChI=1S/C10H10Cl2N4S/c1-6-5-17-8(15-6)2-3-13-9-7(11)4-14-10(12)16-9/h4-5H,2-3H2,1H3,(H,13,14,16)
InChIKeyGXOPHWPAVSIWGT-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.20
Rot. Bonds4

About 2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 79632210) has the molecular formula C10H10Cl2N4S and a molecular weight of 289.19 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID79632210
Molecular FormulaC10H10Cl2N4S
Molecular Weight289.19 g/mol
Exact Mass288.00
IUPAC Name2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1csc(CCNc2nc(Cl)ncc2Cl)n1
InChIInChI=1S/C10H10Cl2N4S/c1-6-5-17-8(15-6)2-3-13-9-7(11)4-14-10(12)16-9/h4-5H,2-3H2,1H3,(H,13,14,16)
InChIKeyGXOPHWPAVSIWGT-UHFFFAOYSA-N
XLogP3.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828978
5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828020
3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine
CID 102758195
6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 63729718
5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79728660
5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazol-2-amine
CID 106571825
5-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79717686
2-tert-butyl-6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80971390
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-5-amine
CID 82538991
6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 80828380
3-chloro-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 94280499
2,5-dichloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 79631877

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (CID 79632210) is 2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is Cc1csc(CCNc2nc(Cl)ncc2Cl)n1.
What is the InChIKey of 2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is GXOPHWPAVSIWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4S/c1-6-5-17-8(15-6)2-3-13-9-7(11)4-14-10(12)16-9/h4-5H,2-3H2,1H3,(H,13,14,16).
What are the key properties of 2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 289.19 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 79632210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).