5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine

C11H14N6S — CID 89181740

IUPAC5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine
SMILES[H]/N=C(\c1sc(C)nc1C)c1c(N)ncnc1NC
InChIInChI=1S/C11H14N6S/c1-5-9(18-6(2)17-5)8(12)7-10(13)15-4-16-11(7)14-3/h4,12H,1-3H3,(H3,13,14,15,16)/b12-8-
InChIKeyHMUPRVXGBFGQRR-WQLSENKSSA-N
MW262.34 g/mol
LogP1.59
Rot. Bonds3

About 5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine

5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 89181740) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is 5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID89181740
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC Name5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine
SMILES[H]/N=C(\c1sc(C)nc1C)c1c(N)ncnc1NC
InChIInChI=1S/C11H14N6S/c1-5-9(18-6(2)17-5)8(12)7-10(13)15-4-16-11(7)14-3/h4,12H,1-3H3,(H3,13,14,15,16)/b12-8-
InChIKeyHMUPRVXGBFGQRR-WQLSENKSSA-N
XLogP1.59
TPSA100.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine (CID 89181740) is 5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine is [H]/N=C(\c1sc(C)nc1C)c1c(N)ncnc1NC.
What is the InChIKey of 5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is HMUPRVXGBFGQRR-WQLSENKSSA-N. The full InChI is InChI=1S/C11H14N6S/c1-5-9(18-6(2)17-5)8(12)7-10(13)15-4-16-11(7)14-3/h4,12H,1-3H3,(H3,13,14,15,16)/b12-8-.
What are the key properties of 5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine?
5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 262.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-1,3-thiazole-5-carboximidoyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 89181740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).