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

C11H15N5S — CID 80934420

IUPAC2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCc2scnc2C)n1
InChIInChI=1S/C11H15N5S/c1-3-10-15-9(12)4-11(16-10)13-5-8-7(2)14-6-17-8/h4,6H,3,5H2,1-2H3,(H3,12,13,15,16)
InChIKeyXTQKEODFODIWDK-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.00
Rot. Bonds4

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

2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80934420) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80934420
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCc2scnc2C)n1
InChIInChI=1S/C11H15N5S/c1-3-10-15-9(12)4-11(16-10)13-5-8-7(2)14-6-17-8/h4,6H,3,5H2,1-2H3,(H3,12,13,15,16)
InChIKeyXTQKEODFODIWDK-UHFFFAOYSA-N
XLogP2.00
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957195
2-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80941605
6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
CID 80946967
2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80934774
2-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80829432
2-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine
CID 80942307
2-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
CID 136975649
6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80830453
6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79557730
6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771943
5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280983
3,5-difluoro-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 114074457

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine (CID 80934420) is 2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine is CCc1nc(N)cc(NCc2scnc2C)n1.
What is the InChIKey of 2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is XTQKEODFODIWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-3-10-15-9(12)4-11(16-10)13-5-8-7(2)14-6-17-8/h4,6H,3,5H2,1-2H3,(H3,12,13,15,16).
What are the key properties of 2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 249.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80934420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).