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

C10H11ClN4S — CID 102975903

IUPAC5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1cnc(CNc2ncncc2Cl)s1
InChIInChI=1S/C10H11ClN4S/c1-2-7-3-13-9(16-7)5-14-10-8(11)4-12-6-15-10/h3-4,6H,2,5H2,1H3,(H,12,14,15)
InChIKeyFNUSCUQQUDJRAM-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.76
Rot. Bonds4

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

5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 102975903) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID102975903
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1cnc(CNc2ncncc2Cl)s1
InChIInChI=1S/C10H11ClN4S/c1-2-7-3-13-9(16-7)5-14-10-8(11)4-12-6-15-10/h3-4,6H,2,5H2,1H3,(H,12,14,15)
InChIKeyFNUSCUQQUDJRAM-UHFFFAOYSA-N
XLogP2.76
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133326050
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)methanamine
CID 104879256
6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114129238
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 105369409
2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 114129233
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 105369387
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 102677497
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile
CID 112755210

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (CID 102975903) is 5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is CCc1cnc(CNc2ncncc2Cl)s1.
What is the InChIKey of 5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is FNUSCUQQUDJRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-2-7-3-13-9(16-7)5-14-10-8(11)4-12-6-15-10/h3-4,6H,2,5H2,1H3,(H,12,14,15).
What are the key properties of 5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 254.75 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 102975903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).