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

C19H21N7OS — CID 135129159

IUPACN-[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(OC3CCCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C19H21N7OS/c1-12-9-16(28-24-12)22-19-21-15-7-8-26(13-10-20-25(2)11-13)17(15)18(23-19)27-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,21,22,23)
InChIKeyDTRRLUKYJSITLA-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.98
Rot. Bonds5

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

N-[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 135129159) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID135129159
Molecular FormulaC19H21N7OS
Molecular Weight395.49 g/mol
Exact Mass395.15
IUPAC NameN-[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(OC3CCCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C19H21N7OS/c1-12-9-16(28-24-12)22-19-21-15-7-8-26(13-10-20-25(2)11-13)17(15)18(23-19)27-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,21,22,23)
InChIKeyDTRRLUKYJSITLA-UHFFFAOYSA-N
XLogP3.98
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (CID 135129159) is N-[4-cyclopentyloxy-5-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(OC3CCCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.
What is the InChIKey of N-[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is DTRRLUKYJSITLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7OS/c1-12-9-16(28-24-12)22-19-21-15-7-8-26(13-10-20-25(2)11-13)17(15)18(23-19)27-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,21,22,23).
What are the key properties of N-[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
N-[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 395.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 135129159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).