4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine

C12H17N5S — CID 80808190

IUPAC4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1nc(C)c(C(C)Nc2nc(N)ncc2C)s1
InChIInChI=1S/C12H17N5S/c1-6-5-14-12(13)17-11(6)16-8(3)10-7(2)15-9(4)18-10/h5,8H,1-4H3,(H3,13,14,16,17)
InChIKeyQOZDQXNNKVEGRY-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.61
Rot. Bonds3

About 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine

4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 80808190) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine
PubChem CID80808190
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1nc(C)c(C(C)Nc2nc(N)ncc2C)s1
InChIInChI=1S/C12H17N5S/c1-6-5-14-12(13)17-11(6)16-8(3)10-7(2)15-9(4)18-10/h5,8H,1-4H3,(H3,13,14,16,17)
InChIKeyQOZDQXNNKVEGRY-UHFFFAOYSA-N
XLogP2.61
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 54964038
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine
CID 55162820
5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781986
3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine
CID 102757058
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80802199
4-N-butan-2-yl-5-methylpyrimidine-2,4-diamine
CID 67950742
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine
CID 113286044
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methyl-5-nitropyridin-2-amine
CID 62475344
5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80807513
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline
CID 63751752
8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80807926
5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxamide
CID 114405909

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine (CID 80808190) is 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine is Cc1nc(C)c(C(C)Nc2nc(N)ncc2C)s1.
What is the InChIKey of 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is QOZDQXNNKVEGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-6-5-14-12(13)17-11(6)16-8(3)10-7(2)15-9(4)18-10/h5,8H,1-4H3,(H3,13,14,16,17).
What are the key properties of 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80808190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).