[(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate

C19H22N6O3 — CID 67052176

IUPAC[(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate
SMILESCc1cc(C)n(-c2cc(NC(=O)O[C@@H]3CCCN3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C19H22N6O3/c1-11-9-12(2)25(24-11)16-10-15(22-19(26)28-17-5-4-8-20-17)21-18(23-16)14-7-6-13(3)27-14/h6-7,9-10,17,20H,4-5,8H2,1-3H3,(H,21,22,23,26)/t17-/m1/s1
InChIKeyQTIVRKVICDQOGT-QGZVFWFLSA-N
MW382.42 g/mol
LogP3.11
Rot. Bonds4

About [(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate

[(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate (PubChem CID 67052176) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is [(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Name[(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate
PubChem CID67052176
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name[(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate
SMILESCc1cc(C)n(-c2cc(NC(=O)O[C@@H]3CCCN3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C19H22N6O3/c1-11-9-12(2)25(24-11)16-10-15(22-19(26)28-17-5-4-8-20-17)21-18(23-16)14-7-6-13(3)27-14/h6-7,9-10,17,20H,4-5,8H2,1-3H3,(H,21,22,23,26)/t17-/m1/s1
InChIKeyQTIVRKVICDQOGT-QGZVFWFLSA-N
XLogP3.11
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate?
The IUPAC name of [(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate (CID 67052176) is [(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate.
What is the SMILES notation for [(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate?
The canonical SMILES for [(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate is Cc1cc(C)n(-c2cc(NC(=O)O[C@@H]3CCCN3)nc(-c3ccc(C)o3)n2)n1.
What is the InChIKey of [(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate?
The InChIKey is QTIVRKVICDQOGT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-11-9-12(2)25(24-11)16-10-15(22-19(26)28-17-5-4-8-20-17)21-18(23-16)14-7-6-13(3)27-14/h6-7,9-10,17,20H,4-5,8H2,1-3H3,(H,21,22,23,26)/t17-/m1/s1.
What are the key properties of [(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate?
[(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate has a molecular weight of 382.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate is sourced from PubChem (CID 67052176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).