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

C12H17N5S — CID 80811753

IUPAC6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)Cc2csc(C)n2)ncn1
InChIInChI=1S/C12H17N5S/c1-4-13-11-5-12(15-8-14-11)17(3)6-10-7-18-9(2)16-10/h5,7-8H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyMBLYCYOVYOUKPB-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.31
Rot. Bonds5

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

6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80811753) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80811753
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)Cc2csc(C)n2)ncn1
InChIInChI=1S/C12H17N5S/c1-4-13-11-5-12(15-8-14-11)17(3)6-10-7-18-9(2)16-10/h5,7-8H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyMBLYCYOVYOUKPB-UHFFFAOYSA-N
XLogP2.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-N-ethyl-4-N,2-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811827
6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 133464216
2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811999
2-ethyl-6-hydrazinyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 80937691
3-N-ethyl-5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3,5-diamine
CID 113423912
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80831186
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80808044
6-[(tert-butylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 66455660
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811752
5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol
CID 107207483
5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811601

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine (CID 80811753) is 6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine is CCNc1cc(N(C)Cc2csc(C)n2)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is MBLYCYOVYOUKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-4-13-11-5-12(15-8-14-11)17(3)6-10-7-18-9(2)16-10/h5,7-8H,4,6H2,1-3H3,(H,13,14,15).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80811753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).