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

C15H23N5S — CID 106041828

IUPAC6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NCCc2csc(C)n2)c1C
InChIInChI=1S/C15H23N5S/c1-5-13-19-14(16-6-2)10(3)15(20-13)17-8-7-12-9-21-11(4)18-12/h9H,5-8H2,1-4H3,(H2,16,17,19,20)
InChIKeyLVAATTCHIZVLER-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.20
Rot. Bonds7

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

6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 106041828) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID106041828
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NCCc2csc(C)n2)c1C
InChIInChI=1S/C15H23N5S/c1-5-13-19-14(16-6-2)10(3)15(20-13)17-8-7-12-9-21-11(4)18-12/h9H,5-8H2,1-4H3,(H2,16,17,19,20)
InChIKeyLVAATTCHIZVLER-UHFFFAOYSA-N
XLogP3.20
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106041779
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106041611
6-N,2-diethyl-5-methyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80987280
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041717
2-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80986232
6-N,2-diethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935385
5,6-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 106544157
6-N,2-diethyl-5-methyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 80984753
4-N-[2-(diethylamino)ethyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80980989
5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041870
6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80976798

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine (CID 106041828) is 6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine is CCNc1nc(CC)nc(NCCc2csc(C)n2)c1C.
What is the InChIKey of 6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is LVAATTCHIZVLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-5-13-19-14(16-6-2)10(3)15(20-13)17-8-7-12-9-21-11(4)18-12/h9H,5-8H2,1-4H3,(H2,16,17,19,20).
What are the key properties of 6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine?
6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 305.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106041828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).