4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine

C15H23N5S — CID 80783060

IUPAC4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)c2sc(C)nc2C)c1C
InChIInChI=1S/C15H23N5S/c1-6-7-16-14-9(2)15(18-8-17-14)20-11(4)13-10(3)19-12(5)21-13/h8,11H,6-7H2,1-5H3,(H2,16,17,18,20)
InChIKeyWJTCOIDGXZRENB-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.85
Rot. Bonds6

About 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80783060) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80783060
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)c2sc(C)nc2C)c1C
InChIInChI=1S/C15H23N5S/c1-6-7-16-14-9(2)15(18-8-17-14)20-11(4)13-10(3)19-12(5)21-13/h8,11H,6-7H2,1-5H3,(H2,16,17,18,20)
InChIKeyWJTCOIDGXZRENB-UHFFFAOYSA-N
XLogP3.85
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 103879939
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80825152
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783795
5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80838810
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
4-N-[1-(3-fluorophenyl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783043
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80800967
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80901595
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline
CID 63753114

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80783060) is 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC(C)c2sc(C)nc2C)c1C.
What is the InChIKey of 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is WJTCOIDGXZRENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-6-7-16-14-9(2)15(18-8-17-14)20-11(4)13-10(3)19-12(5)21-13/h8,11H,6-7H2,1-5H3,(H2,16,17,18,20).
What are the key properties of 4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 305.45 g/mol, XLogP of 3.85, 6 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-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80783060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).