N-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine

C19H19N5O3S — CID 135129184

IUPACN-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(OC3CCOCC3)c3c(ccn3-c3ccoc3)n2)sn1
InChIInChI=1S/C19H19N5O3S/c1-12-10-16(28-23-12)21-19-20-15-2-6-24(13-3-7-26-11-13)17(15)18(22-19)27-14-4-8-25-9-5-14/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H,20,21,22)
InChIKeyVDQIRNBKUXZGEP-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.08
Rot. Bonds5

About N-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine

N-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 135129184) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID135129184
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(OC3CCOCC3)c3c(ccn3-c3ccoc3)n2)sn1
InChIInChI=1S/C19H19N5O3S/c1-12-10-16(28-23-12)21-19-20-15-2-6-24(13-3-7-26-11-13)17(15)18(22-19)27-14-4-8-25-9-5-14/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H,20,21,22)
InChIKeyVDQIRNBKUXZGEP-UHFFFAOYSA-N
XLogP4.08
TPSA87.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (CID 135129184) is N-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(OC3CCOCC3)c3c(ccn3-c3ccoc3)n2)sn1.
What is the InChIKey of N-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is VDQIRNBKUXZGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-12-10-16(28-23-12)21-19-20-15-2-6-24(13-3-7-26-11-13)17(15)18(22-19)27-14-4-8-25-9-5-14/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H,20,21,22).
What are the key properties of N-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
N-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 397.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 135129184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).