4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine

C11H13N5OS — CID 71896567

IUPAC4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine
SMILESCOc1ccnc(NN=C(C)c2scnc2C)n1
InChIInChI=1S/C11H13N5OS/c1-7-10(18-6-13-7)8(2)15-16-11-12-5-4-9(14-11)17-3/h4-6H,1-3H3,(H,12,14,16)
InChIKeyPRNZATFANSTMAI-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.09
Rot. Bonds4

About 4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine

4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine (PubChem CID 71896567) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine
PubChem CID71896567
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine
SMILESCOc1ccnc(NN=C(C)c2scnc2C)n1
InChIInChI=1S/C11H13N5OS/c1-7-10(18-6-13-7)8(2)15-16-11-12-5-4-9(14-11)17-3/h4-6H,1-3H3,(H,12,14,16)
InChIKeyPRNZATFANSTMAI-UHFFFAOYSA-N
XLogP2.09
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine (CID 71896567) is 4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine is COc1ccnc(NN=C(C)c2scnc2C)n1.
What is the InChIKey of 4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine?
The InChIKey is PRNZATFANSTMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-7-10(18-6-13-7)8(2)15-16-11-12-5-4-9(14-11)17-3/h4-6H,1-3H3,(H,12,14,16).
What are the key properties of 4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine?
4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine has a molecular weight of 263.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 71896567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).