(4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone

C15H18N6O2 — CID 124848923

IUPAC(4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESCC1=C(C(=O)N2CCC[C@H]2c2ccco2)Cn2nnnc2N1C
InChIInChI=1S/C15H18N6O2/c1-10-11(9-21-15(19(10)2)16-17-18-21)14(22)20-7-3-5-12(20)13-6-4-8-23-13/h4,6,8,12H,3,5,7,9H2,1-2H3/t12-/m0/s1
InChIKeyNRRDFCNMVCAIPI-LBPRGKRZSA-N
MW314.35 g/mol
LogP1.35
Rot. Bonds2

About (4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone

(4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 124848923) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is (4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID124848923
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name(4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESCC1=C(C(=O)N2CCC[C@H]2c2ccco2)Cn2nnnc2N1C
InChIInChI=1S/C15H18N6O2/c1-10-11(9-21-15(19(10)2)16-17-18-21)14(22)20-7-3-5-12(20)13-6-4-8-23-13/h4,6,8,12H,3,5,7,9H2,1-2H3/t12-/m0/s1
InChIKeyNRRDFCNMVCAIPI-LBPRGKRZSA-N
XLogP1.35
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone (CID 124848923) is (4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone is CC1=C(C(=O)N2CCC[C@H]2c2ccco2)Cn2nnnc2N1C.
What is the InChIKey of (4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NRRDFCNMVCAIPI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-10-11(9-21-15(19(10)2)16-17-18-21)14(22)20-7-3-5-12(20)13-6-4-8-23-13/h4,6,8,12H,3,5,7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of (4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone?
(4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 314.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124848923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).