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

C19H19N5O2S — CID 154827151

IUPACN-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(OC3CCCC3)c3c(ccn3-c3ccoc3)n2)sn1
InChIInChI=1S/C19H19N5O2S/c1-12-10-16(27-23-12)21-19-20-15-6-8-24(13-7-9-25-11-13)17(15)18(22-19)26-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,20,21,22)
InChIKeyNWEQUAKLMGKCNH-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.84
Rot. Bonds5

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

N-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 154827151) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID154827151
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(OC3CCCC3)c3c(ccn3-c3ccoc3)n2)sn1
InChIInChI=1S/C19H19N5O2S/c1-12-10-16(27-23-12)21-19-20-15-6-8-24(13-7-9-25-11-13)17(15)18(22-19)26-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,20,21,22)
InChIKeyNWEQUAKLMGKCNH-UHFFFAOYSA-N
XLogP4.84
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (CID 154827151) is N-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(OC3CCCC3)c3c(ccn3-c3ccoc3)n2)sn1.
What is the InChIKey of N-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is NWEQUAKLMGKCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12-10-16(27-23-12)21-19-20-15-6-8-24(13-7-9-25-11-13)17(15)18(22-19)26-14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,20,21,22).
What are the key properties of N-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
N-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 381.46 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopentyloxy-5-(furan-3-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 154827151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).