6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine

C14H18N4OS — CID 50954199

IUPAC6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(NC(C)c2nc3c(s2)CCCC3)ncn1
InChIInChI=1S/C14H18N4OS/c1-9(17-12-7-13(19-2)16-8-15-12)14-18-10-5-3-4-6-11(10)20-14/h7-9H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyFYYGCGBOGRIAMX-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.99
Rot. Bonds4

About 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine

6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 50954199) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID50954199
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(NC(C)c2nc3c(s2)CCCC3)ncn1
InChIInChI=1S/C14H18N4OS/c1-9(17-12-7-13(19-2)16-8-15-12)14-18-10-5-3-4-6-11(10)20-14/h7-9H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyFYYGCGBOGRIAMX-UHFFFAOYSA-N
XLogP2.99
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine (CID 50954199) is 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine is COc1cc(NC(C)c2nc3c(s2)CCCC3)ncn1.
What is the InChIKey of 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is FYYGCGBOGRIAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(17-12-7-13(19-2)16-8-15-12)14-18-10-5-3-4-6-11(10)20-14/h7-9H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine?
6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 290.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 50954199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).