[5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate

C15H15N5O3S — CID 68631443

IUPAC[5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate
SMILESC=CCNc1nc(-c2ccc(C)o2)c2c(N)c(OC(N)=O)sc2n1
InChIInChI=1S/C15H15N5O3S/c1-3-6-18-15-19-11(8-5-4-7(2)22-8)9-10(16)13(23-14(17)21)24-12(9)20-15/h3-5H,1,6,16H2,2H3,(H2,17,21)(H,18,19,20)
InChIKeyFMNVUHPQSBMIFX-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.90
Rot. Bonds5

About [5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate

[5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate (PubChem CID 68631443) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is [5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate.

Molecular Properties

Compound Name[5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate
PubChem CID68631443
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name[5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate
SMILESC=CCNc1nc(-c2ccc(C)o2)c2c(N)c(OC(N)=O)sc2n1
InChIInChI=1S/C15H15N5O3S/c1-3-6-18-15-19-11(8-5-4-7(2)22-8)9-10(16)13(23-14(17)21)24-12(9)20-15/h3-5H,1,6,16H2,2H3,(H2,17,21)(H,18,19,20)
InChIKeyFMNVUHPQSBMIFX-UHFFFAOYSA-N
XLogP2.90
TPSA129.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate?
The IUPAC name of [5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate (CID 68631443) is [5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate.
What is the SMILES notation for [5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate?
The canonical SMILES for [5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate is C=CCNc1nc(-c2ccc(C)o2)c2c(N)c(OC(N)=O)sc2n1.
What is the InChIKey of [5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate?
The InChIKey is FMNVUHPQSBMIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-3-6-18-15-19-11(8-5-4-7(2)22-8)9-10(16)13(23-14(17)21)24-12(9)20-15/h3-5H,1,6,16H2,2H3,(H2,17,21)(H,18,19,20).
What are the key properties of [5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate?
[5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate has a molecular weight of 345.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-(5-methylfuran-2-yl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate is sourced from PubChem (CID 68631443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).